1-(2-methylphenyl)-5-[[(4-nitrophenyl)amino]methyl]-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(2-methylphenyl)-5-[[(4-nitrophenyl)amino]methyl]-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-nitroanilino)methyl]-1-(o-tolyl)-3-(2-pyridyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2-methylphenyl)-5-[(4-nitroanilino)methyl]-3-(2-pyridinyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2-methylphenyl)-5-[(4-nitroanilino)methyl]-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(4-nitroanilino)methyl]-1-(o-tolyl)-3-(2-pyridyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=O)N(C2=S)C3=CC=CC=N3)CNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(C(=O)N(C2=S)C3=CC=CC=N3)CNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O4S/c1-15-6-2-3-7-19(15)26-21(29)18(14-25-16-9-11-17(12-10-16)28(31)32)22(30)27(23(26)33)20-8-4-5-13-24-20/h2-13,18,25H,14H2,1H3