4-(2-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3OS/c1-13-18(20(26)25-14-8-4-3-5-9-14)19(15-10-6-7-11-17(15)22)16(12-23)21(24-13)27-2/h3-11,19,24H,1-2H3,(H,25,26)