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

Systemtic Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H18ClN3O4S2 MolecularWeight: 475.96832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)N(C1=S)CC

InChI

InChI=1S/C21H18ClN3O4S2/c1-3-23-19(26)16(20(27)24(4-2)21(23)30)11-13-5-10-18(17(12-13)25(28)29)31-15-8-6-14(22)7-9-15/h5-12H,3-4H2,1-2H3