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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(2-methylphenyl)-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-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C25H19N7OS MolecularWeight: 465.52966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=NC=C5

InChI

InChI=1S/C25H19N7OS/c1-16-6-2-5-9-21(16)32-24(17-10-12-27-13-11-17)30-31-25(32)34-15-22(33)18(14-26)23-28-19-7-3-4-8-20(19)29-23/h2-13,28-29H,15H2,1H3