(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C20H17N7OS MolecularWeight: 403.46028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)CSC3=NN=C(N3C)C4=CC=NC=C4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)CSC3=NN=C(N3C)C4=CC=NC=C4

InChI

InChI=1S/C20H17N7OS/c1-26-16-6-4-3-5-15(16)23-19(26)14(11-21)17(28)12-29-20-25-24-18(27(20)2)13-7-9-22-10-8-13/h3-10,23H,12H2,1-2H3/b19-14+