N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)acetamide Formula: C20H18N6OS2 MolecularWeight: 422.52652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NNC4=NC5=CC=CC=C5N43

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NNC4=NC5=CC=CC=C5N43

InChI

InChI=1S/C20H18N6OS2/c1-11-6-7-12-13(9-21)18(29-16(12)8-11)23-17(27)10-28-20-25-24-19-22-14-4-2-3-5-15(14)26(19)20/h2-5,11H,6-8,10H2,1H3,(H,22,24)(H,23,27)