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

Systemtic Name: (2S)-2-ethanimidoyl-4-[1-(4-methylphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-3-oxo-4-[5-phenyl-1-(p-tolyl)imidazol-2-yl]sulfanyl-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[1-(4-methylphenyl)-5-phenyl-2-imidazolyl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[5-phenyl-1-(p-tolyl)imidazol-2-yl]thio]butyronitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CN=C2SCC(=O)C(C#N)C(=N)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-15-8-10-18(11-9-15)26-20(17-6-4-3-5-7-17)13-25-22(26)28-14-21(27)19(12-23)16(2)24/h3-11,13,19,24H,14H2,1-2H3/t19-/m1/s1