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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H18N6OS/c1-2-12-28-21(15-8-4-3-5-9-15)26-27-22(28)30-14-19(29)16(13-23)20-24-17-10-6-7-11-18(17)25-20/h2-11,24-25H,1,12,14H2