2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(p-tolylsulfanyl)butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methylphenyl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(p-tolylthio)butyronitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C18H15N3OS/c1-12-6-8-13(9-7-12)23-11-17(22)14(10-19)18-20-15-4-2-3-5-16(15)21-18/h2-9,20-21H,11H2,1H3