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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)C)C)SCC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)C)C)SCC3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

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