2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzonitrile CAS Name: 2-[(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)methyl]benzonitrile IUPAC Name: 2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzonitrile Traditional Name: 2-[(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)methyl]benzonitrile Formula: C16H11N5S MolecularWeight: 305.35704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NNC3=NC4=CC=CC=C4N32)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC3=NC4=CC=CC=C4N32)C#N

InChI

InChI=1S/C16H11N5S/c17-9-11-5-1-2-6-12(11)10-22-16-20-19-15-18-13-7-3-4-8-14(13)21(15)16/h1-8H,10H2,(H,18,19)