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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C16H16N6O2S/c1-2-7-22-15(24)20-21-16(22)25-9-13(23)10(8-17)14-18-11-5-3-4-6-12(11)19-14/h3-6,18-19H,2,7,9H2,1H3,(H,20,24)