5-ethanoyl-4-(4-fluorophenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile; piperidine

Systemtic Name: 5-ethanoyl-4-(4-fluorophenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile; piperidine Openeye Name: 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile; piperidine CAS Name: 5-acetyl-4-(4-fluorophenyl)-2-mercapto-6-methyl-1,4-dihydropyridine-3-carbonitrile; piperidine IUPAC Name: 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile; piperidine Traditional Name: 5-acetyl-4-(4-fluorophenyl)-2-mercapto-6-methyl-1,4-dihydropyridine-3-carbonitrile; piperidine Formula: C20H24FN3OS MolecularWeight: 373.487463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)F)C(=O)C.C1CCNCC1

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)F)C(=O)C.C1CCNCC1

InChI

InChI=1S/C15H13FN2OS.C5H11N/c1-8-13(9(2)19)14(12(7-17)15(20)18-8)10-3-5-11(16)6-4-10;1-2-4-6-5-3-1/h3-6,14,18,20H,1-2H3;6H,1-5H2