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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methylimidazol-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methylimidazol-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-methyl-2-imidazolyl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methylimidazol-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(1-methylimidazol-2-yl)thio]butyronitrile Formula: C15H13N5OS MolecularWeight: 311.36162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CN1C=CN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C15H13N5OS/c1-20-7-6-17-15(20)22-9-13(21)10(8-16)14-18-11-4-2-3-5-12(11)19-14/h2-7,18-19H,9H2,1H3