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

Systemtic Name: 1,3-diethyl-5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diethyl-5-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-[3-nitro-4-(p-tolylthio)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S2/c1-4-23-20(26)17(21(27)24(5-2)22(23)30)12-15-8-11-19(18(13-15)25(28)29)31-16-9-6-14(3)7-10-16/h6-13H,4-5H2,1-3H3