(Q27156517)

Triaconazole (English)

9 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₁Cl₂N₅O₃

1 reference

Triaconazole (English)

9 October 2016

canonical SMILES

CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl

1 reference

Triaconazole (English)

9 October 2016

isomeric SMILES

CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl

1 reference

Triaconazole (English)

InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Triaconazole (English)

9 October 2016

2 references

Triaconazole (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,4R)-(-)-terconazole (English)

9 October 2016

2 references

Triaconazole (English)

9 October 2016

Reaxys registry number

7471104

1 reference

(2S,4R)-terconazole (English)

9 October 2016

ChEBI ID

82981

mapping relation type

2 references

(2S,4R)-terconazole (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m1/s1

1 reference

CHEMBL1410669 (English)

9 October 2016

1 reference

1 reference

UNII

0KJ2VE664U

1 reference