(4S)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-furyl)-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-6-[(4-chlorophenyl)methylthio]-5-cyano-4-(2-furanyl)-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-6-[(4-chlorobenzyl)thio]-5-cyano-4-(2-furyl)-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide Formula: C25H20ClN3O2S MolecularWeight: 461.9632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CO3)C#N)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)NC2=CC=CC=C2)C3=CC=CO3)C#N)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN3O2S/c1-16-22(24(30)29-19-6-3-2-4-7-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-9-11-18(26)12-10-17/h2-13,22-23H,15H2,1H3,(H,29,30)/t22?,23-/m0/s1