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

Systemtic Name: methyl 4-(4-methoxy-3-nitro-phenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-methoxy-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxy-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-methoxy-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=S)NC(=C2C(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=S)NC(=C2C(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S/c1-26-14-9-8-12(10-13(14)22(24)25)17-15(18(23)27-2)16(20-19(28)21-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21,28)