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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(1-isopropyltetrazol-5-yl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(1-propan-2-yl-5-tetrazolyl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(1-propan-2-yltetrazol-5-yl)sulfanylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(1-isopropyltetrazol-5-yl)thio]-3-keto-butyronitrile Formula: C17H19N7OS MolecularWeight: 369.44406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C17H19N7OS/c1-11(2)24-17(19-20-21-24)26-10-15(25)12(9-18)16-22(3)13-7-5-6-8-14(13)23(16)4/h5-8,11H,10H2,1-4H3