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

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (2E)-3-keto-4-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C17H18N6O2S/c1-3-8-23-16(25)20-21-17(23)26-10-14(24)11(9-18)15-19-12-6-4-5-7-13(12)22(15)2/h4-7,19H,3,8,10H2,1-2H3,(H,20,25)/b15-11+