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

Systemtic Name: 4-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C17H18N6O2S/c1-2-3-8-23-16(25)21-22-17(23)26-10-14(24)11(9-18)15-19-12-6-4-5-7-13(12)20-15/h4-7,19-20H,2-3,8,10H2,1H3,(H,21,25)