2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(C#N)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(C#N)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6OS/c1-2-27-20(14-8-4-3-5-9-14)25-26-21(27)29-13-18(28)15(12-22)19-23-16-10-6-7-11-17(16)24-19/h3-11,15H,2,13H2,1H3,(H,23,24)