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

Systemtic Name: (4R)-4-(4-chlorophenyl)-3-ethanoyl-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-4-(4-chlorophenyl)-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-4-(4-chlorophenyl)-2-methyl-6-[(3-nitrophenyl)methylthio]-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-4-(4-chlorophenyl)-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-4-(4-chlorophenyl)-2-methyl-6-[(3-nitrobenzyl)thio]-3,4-dihydropyridine-5-carbonitrile Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=C(C=C2)Cl)C#N)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=C(C=C2)Cl)C#N)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O3S/c1-13-20(14(2)27)21(16-6-8-17(23)9-7-16)19(11-24)22(25-13)30-12-15-4-3-5-18(10-15)26(28)29/h3-10,20-21H,12H2,1-2H3/t20?,21-/m1/s1