(Q27164407)

MLS-0390843.0001 (English)

9 October 2016

chemical formula

C₂₀H₁₉N₃O₄S

1 reference

MLS-0390843.0001 (English)

9 October 2016

canonical SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)O)O

1 reference

MLS-0390843.0001 (English)

InChI=1S/C20H19N3O4S/c1-3-9-23-19(14-5-4-6-15(10-14)27-2)21-22-20(23)28-12-18(26)13-7-8-16(24)17(25)11-13/h3-8,10-11,24-25H,1,9,12H2,2H3

9 October 2016

Identifiers

InChI

1 reference

MLS-0390843.0001 (English)

SLHDNIDGJASXKC-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

MLS-0390843.0001 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-{[4-Allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone (English)

9 October 2016

1 reference

MLS-0390843.0001 (English)

9 October 2016

ChEBI ID

92706

mapping relation type

2 references

1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H19N3O4S/c1-3-9-23-19(14-5-4-6-15(10-14)27-2)21-22-20(23)28-12-18(26)13-7-8-16(24)17(25)11-13/h3-8,10-11,24-25H,1,9,12H2,2H3

1 reference