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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C23H16N6OS2 MolecularWeight: 456.54274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=CS5

InChI

InChI=1S/C23H16N6OS2/c24-13-16(21-25-17-9-4-5-10-18(17)26-21)19(30)14-32-23-28-27-22(20-11-6-12-31-20)29(23)15-7-2-1-3-8-15/h1-12,25-26H,14H2