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

Systemtic Name: 5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[3-nitro-4-(p-tolylthio)benzylidene]barbituric acid Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S/c1-10-2-5-12(6-3-10)27-15-7-4-11(9-14(15)21(25)26)8-13-16(22)19-18(24)20-17(13)23/h2-9H,1H3,(H2,19,20,22,23,24)