2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(2,4-dimethylphenyl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(2,4-dimethylphenyl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(2,4-dimethylphenyl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(2,4-dimethylphenyl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(2,4-dimethylphenyl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(2,4-dimethylphenyl)thio]-3-keto-butyronitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C

InChI

InChI=1S/C21H21N3OS/c1-14-9-10-20(15(2)11-14)26-13-19(25)16(12-22)21-23(3)17-7-5-6-8-18(17)24(21)4/h5-11H,13H2,1-4H3