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

Systemtic Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide; piperidine Openeye Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide; piperidine CAS Name: 4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide; piperidine IUPAC Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide; piperidine Traditional Name: 4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide; piperidine Formula: C25H27ClN4OS MolecularWeight: 467.02608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3.C1CCNCC1

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3.C1CCNCC1

InChI

InChI=1S/C20H16ClN3OS.C5H11N/c1-12-17(19(25)24-15-5-3-2-4-6-15)18(16(11-22)20(26)23-12)13-7-9-14(21)10-8-13;1-2-4-6-5-3-1/h2-10,18,23,26H,1H3,(H,24,25);6H,1-5H2