3-cyano-N-(2,4-dimethylphenyl)-2-oxidanylidene-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-cyano-N-(2,4-dimethylphenyl)-2-oxidanylidene-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-cyano-N-(2,4-dimethylphenyl)-2-oxo-3-[4-(4-phenylphenyl)thiazol-2-yl]propanamide CAS Name: 3-cyano-N-(2,4-dimethylphenyl)-2-oxo-3-[4-(4-phenylphenyl)-2-thiazolyl]propanamide IUPAC Name: 3-cyano-N-(2,4-dimethylphenyl)-2-oxo-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-cyano-N-(2,4-dimethylphenyl)-2-keto-3-[4-(4-phenylphenyl)thiazol-2-yl]propionamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H21N3O2S/c1-17-8-13-23(18(2)14-17)29-26(32)25(31)22(15-28)27-30-24(16-33-27)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-14,16,22H,1-2H3,(H,29,32)