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

Systemtic Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]-1,3-dimethyl-barbituric acid Formula: C19H14ClN3O5S MolecularWeight: 431.84956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C19H14ClN3O5S/c1-21-17(24)14(18(25)22(2)19(21)26)9-11-3-8-16(15(10-11)23(27)28)29-13-6-4-12(20)5-7-13/h3-10H,1-2H3