methyl 4-[4-(4-fluoranylphenoxy)-3-nitro-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-(4-fluoranylphenoxy)-3-nitro-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(4-fluorophenoxy)-3-nitro-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(4-fluorophenoxy)-3-nitrophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-fluorophenoxy)-3-nitrophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(4-fluorophenoxy)-3-nitro-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H16FN3O5S MolecularWeight: 417.410843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H16FN3O5S/c1-10-16(18(24)27-2)17(22-19(29)21-10)11-3-8-15(14(9-11)23(25)26)28-13-6-4-12(20)5-7-13/h3-9,17H,1-2H3,(H2,21,22,29)