5-ethanoyl-6-methyl-2-(3-methylbut-2-enylsulfanyl)-4-(3-methylphenyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(3-methylbut-2-enylsulfanyl)-4-(3-methylphenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(3-methylbut-2-enylsulfanyl)-4-(m-tolyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(3-methylbut-2-enylthio)-4-(3-methylphenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(3-methylbut-2-enylsulfanyl)-4-(3-methylphenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(3-methylbut-2-enylthio)-4-(m-tolyl)-1,4-dihydropyridine-3-carbonitrile Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)C)C)SCC=C(C)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)C)C)SCC=C(C)C)C#N

InChI

InChI=1S/C21H24N2OS/c1-13(2)9-10-25-21-18(12-22)20(17-8-6-7-14(3)11-17)19(16(5)24)15(4)23-21/h6-9,11,20,23H,10H2,1-5H3