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

Systemtic Name: 4-[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[1-(3-chlorophenyl)-5-phenyl-2-imidazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[1-(3-chlorophenyl)-5-phenylimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]thio]-3-keto-butyronitrile Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC=C(N1C2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC=C(N1C2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClN4OS/c1-14(24)18(11-23)20(27)13-28-21-25-12-19(15-6-3-2-4-7-15)26(21)17-9-5-8-16(22)10-17/h2-10,12,18,24H,13H2,1H3