N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)acetamide Formula: C17H13N5OS3 MolecularWeight: 399.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3)C

InChI

InChI=1S/C17H13N5OS3/c1-9-10(2)25-15(11(9)7-18)19-14(23)8-24-16-20-21-17-22(16)12-5-3-4-6-13(12)26-17/h3-6H,8H2,1-2H3,(H,19,23)