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

Systemtic Name: 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(1-tert-butyltetrazol-5-yl)sulfanyl-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(1-tert-butyl-5-tetrazolyl)thio]-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(1-tert-butyltetrazol-5-yl)sulfanyl-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(1-tert-butyltetrazol-5-yl)thio]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7OS/c1-18(2,3)25-17(20-21-22-25)27-11-15(26)12(10-19)16-23(4)13-8-6-7-9-14(13)24(16)5/h6-9H,11H2,1-5H3