2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H14N6S MolecularWeight: 298.36616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)CCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CN1C(=NN=C1SCC#N)CCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H14N6S/c1-20-13(18-19-14(20)21-9-8-15)7-6-12-16-10-4-2-3-5-11(10)17-12/h2-5H,6-7,9H2,1H3,(H,16,17)