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

Systemtic Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C22H20N6OS2 MolecularWeight: 448.5638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5)C

InChI

InChI=1S/C22H20N6OS2/c1-26-16-6-3-4-7-17(16)27(2)21(26)15(12-23)18(29)13-31-22-25-24-20(19-8-5-11-30-19)28(22)14-9-10-14/h3-8,11,14H,9-10,13H2,1-2H3