(5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H9ClN3O4S2- MolecularWeight: 418.85406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)N=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)/C=C/3\C(=O)NC(=S)N=C3[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)/p-1