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

Systemtic Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H10ClN3O4S2 MolecularWeight: 419.862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10ClN3O4S2/c18-10-2-4-11(5-3-10)27-14-6-1-9(8-13(14)21(24)25)7-12-15(22)19-17(26)20-16(12)23/h1-8H,(H2,19,20,22,23,26)