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

Systemtic Name: 4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzonitrile CAS Name: 4-[(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)methyl]benzonitrile IUPAC Name: 4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzonitrile Traditional Name: 4-[(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=C2C(=C1)N=C3N2C(=NN3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3N2C(=NN3)SCC4=CC=C(C=C4)C#N

InChI

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