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

Systemtic Name: 5-ethanoyl-6-methyl-4-(2-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-[(4-nitrophenyl)methylthio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(4-nitrobenzyl)thio]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C

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/h3-10,21,24H,12H2,1-2H3