1,3-dimethyl-5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[3-nitro-4-(p-tolylthio)benzylidene]barbituric acid Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-12-4-7-14(8-5-12)29-17-9-6-13(11-16(17)23(27)28)10-15-18(24)21(2)20(26)22(3)19(15)25/h4-11H,1-3H3