(2S)-4-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[4-(3,4-dimethylphenyl)-1-phenyl-2-imidazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[4-(3,4-dimethylphenyl)-1-phenylimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]thio]-3-keto-butyronitrile Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)C(C#N)C(=N)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)[C@H](C#N)C(=N)C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H22N4OS/c1-15-9-10-18(11-16(15)2)21-13-27(19-7-5-4-6-8-19)23(26-21)29-14-22(28)20(12-24)17(3)25/h4-11,13,20,25H,14H2,1-3H3/t20-/m1/s1