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

Systemtic Name: 4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(1-cyclohexyltetrazol-5-yl)sulfanyl-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(1-cyclohexyl-5-tetrazolyl)thio]-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(1-cyclohexyltetrazol-5-yl)sulfanyl-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(1-cyclohexyltetrazol-5-yl)thio]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C20H23N7OS MolecularWeight: 409.50792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NN=NN3C4CCCCC4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NN=NN3C4CCCCC4)C

InChI

InChI=1S/C20H23N7OS/c1-25-16-10-6-7-11-17(16)26(2)19(25)15(12-21)18(28)13-29-20-22-23-24-27(20)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,13H2,1-2H3