(2E)-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C17H16N6OS MolecularWeight: 352.41354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)CSC3=NNC(=N3)C4CC4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)CSC3=NNC(=N3)C4CC4

InChI

InChI=1S/C17H16N6OS/c1-23-13-5-3-2-4-12(13)19-16(23)11(8-18)14(24)9-25-17-20-15(21-22-17)10-6-7-10/h2-5,10,19H,6-7,9H2,1H3,(H,20,21,22)/b16-11+