(Q27166401)

Kinome_3641 (English)

9 October 2016

chemical formula

C₂₂H₁₈N₄OS

1 reference

Kinome_3641 (English)

9 October 2016

canonical SMILES

CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4

1 reference

Kinome_3641 (English)

InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)

9 October 2016

Identifiers

InChI

1 reference

Kinome_3641 (English)

9 October 2016

2 references

Kinome_3641 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-Methyl-2-({3-[2-(2-pyridinyl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide (English)

9 October 2016

2 references

Kinome_3641 (English)

9 October 2016

ChEBI ID

94568

mapping relation type

2 references

N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)

1 reference

CHEMBL1988437 (English)

9 October 2016

1 reference

1 reference

Human Metabolome Database ID

HMDB0243646

2 references

based on heuristic

inferred from InChIKey