5-ethanoyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-(o-tolylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(2-methylphenyl)methylthio]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(2-methylbenzyl)thio]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C23H21N3O3S/c1-14-8-4-5-9-17(14)13-30-23-19(12-24)22(21(16(3)27)15(2)25-23)18-10-6-7-11-20(18)26(28)29/h4-11,22,25H,13H2,1-3H3