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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H15N7OS MolecularWeight: 389.4337

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=NC=C4

InChI

InChI=1S/C19H15N7OS/c1-26-18(12-6-8-21-9-7-12)24-25-19(26)28-11-16(27)13(10-20)17-22-14-4-2-3-5-15(14)23-17/h2-9,22-23H,11H2,1H3