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

Systemtic Name: (4S)-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-6-[(4-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-[(4-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-[(4-nitrophenyl)methylthio]-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-[(4-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-2-methyl-6-[(4-nitrobenzyl)thio]-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O5S/c1-13-20(14(2)27)21(17-5-3-4-6-19(17)26(30)31)18(11-23)22(24-13)32-12-15-7-9-16(10-8-15)25(28)29/h3-10,20-21H,12H2,1-2H3/t20?,21-/m0/s1