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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-pentyl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(4-amyl-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C18H20N6OS/c1-2-3-6-9-24-12-20-23-18(24)26-11-16(25)13(10-19)17-21-14-7-4-5-8-15(14)22-17/h4-5,7-8,12,21-22H,2-3,6,9,11H2,1H3