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

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[(2-chlorophenyl)methylthio]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[(2-chlorobenzyl)thio]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2Cl)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2Cl)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H22ClN3OS/c1-18-24(26(32)31-21-13-6-3-7-14-21)25(19-10-4-2-5-11-19)22(16-29)27(30-18)33-17-20-12-8-9-15-23(20)28/h2-15,25,30H,17H2,1H3,(H,31,32)