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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C26H20N6O2S MolecularWeight: 480.541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C26H20N6O2S/c1-34-19-13-11-17(12-14-19)25-30-31-26(32(25)18-7-3-2-4-8-18)35-16-23(33)20(15-27)24-28-21-9-5-6-10-22(21)29-24/h2-14,28-29H,16H2,1H3