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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(C(=NC(=C2C#N)SCC3=CC=CC=C3[N+](=O)[O-])C)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2[C@H](C(=NC(=C2C#N)SCC3=CC=CC=C3[N+](=O)[O-])C)C(=O)C

InChI

InChI=1S/C23H21N3O3S/c1-14-8-4-6-10-18(14)22-19(12-24)23(25-15(2)21(22)16(3)27)30-13-17-9-5-7-11-20(17)26(28)29/h4-11,21-22H,13H2,1-3H3/t21-,22+/m1/s1