methyl 4-(4-chloranyl-3-nitro-phenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-chloranyl-3-nitro-phenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-chloro-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chloro-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)N=C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC(=S)N=C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H12ClN3O4S/c1-26-17(23)14-15(10-5-3-2-4-6-10)20-18(27)21-16(14)11-7-8-12(19)13(9-11)22(24)25/h2-9H,1H3,(H,20,21,27)