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

Systemtic Name: 5-ethanoyl-4-(4-ethylphenyl)-6-methyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-benzylsulfanyl-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-ethylphenyl)-6-methyl-2-(phenylmethylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-benzylsulfanyl-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(benzylthio)-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C24H24N2OS MolecularWeight: 388.52516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H24N2OS/c1-4-18-10-12-20(13-11-18)23-21(14-25)24(26-16(2)22(23)17(3)27)28-15-19-8-6-5-7-9-19/h5-13,23,26H,4,15H2,1-3H3