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

Systemtic Name: 5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-nitro-4-(p-tolylthio)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H13N3O4S2 MolecularWeight: 399.44352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O4S2/c1-10-2-5-12(6-3-10)27-15-7-4-11(9-14(15)21(24)25)8-13-16(22)19-18(26)20-17(13)23/h2-9H,1H3,(H2,19,20,22,23,26)