2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methyltetrazol-5-yl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-methyl-5-tetrazolyl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methyltetrazol-5-yl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(1-methyltetrazol-5-yl)thio]butyronitrile Formula: C13H11N7OS MolecularWeight: 313.33774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C13H11N7OS/c1-20-13(17-18-19-20)22-7-11(21)8(6-14)12-15-9-4-2-3-5-10(9)16-12/h2-5,15-16H,7H2,1H3