5-ethanoyl-4-(4-fluorophenyl)-6-methyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-4-(4-fluorophenyl)-6-methyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(4-fluorophenyl)-2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C29H23FN2O2S MolecularWeight: 482.568523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)F)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)F)C(=O)C

InChI

InChI=1S/C29H23FN2O2S/c1-18-27(19(2)33)28(23-12-14-24(30)15-13-23)25(16-31)29(32-18)35-17-26(34)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,28,32H,17H2,1-2H3