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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C18H20N6O2S/c1-4-9-24-17(26)20-21-18(24)27-11-15(25)12(10-19)16-22(2)13-7-5-6-8-14(13)23(16)3/h5-8H,4,9,11H2,1-3H3,(H,20,26)