5-ethanoyl-4-(4-ethylphenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-4-(4-ethylphenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(4-ethylphenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-ethylphenyl)-6-methyl-2-(phenacylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(4-ethylphenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(4-ethylphenyl)-6-methyl-2-(phenacylthio)-1,4-dihydropyridine-3-carbonitrile Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H24N2O2S/c1-4-18-10-12-20(13-11-18)24-21(14-26)25(27-16(2)23(24)17(3)28)30-15-22(29)19-8-6-5-7-9-19/h5-13,24,27H,4,15H2,1-3H3