(2S)-4-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[1-(2,6-dimethylphenyl)-5-phenyl-2-imidazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[1-(2,6-dimethylphenyl)-5-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(=CC=C1)C)N2C(=CN=C2SCC(=O)C(C#N)C(=N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=CN=C2SCC(=O)[C@H](C#N)C(=N)C)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4OS/c1-15-8-7-9-16(2)22(15)27-20(18-10-5-4-6-11-18)13-26-23(27)29-14-21(28)19(12-24)17(3)25/h4-11,13,19,25H,14H2,1-3H3/t19-/m1/s1