ethyl 4-[4-(3-fluorophenyl)sulfanylphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(3-fluorophenyl)sulfanylphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3-fluorophenyl)sulfanylphenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(3-fluorophenyl)thio]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-fluorophenyl)sulfanylphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[(3-fluorophenyl)thio]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19FN2O2S2 MolecularWeight: 402.505463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)SC3=CC=CC(=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)SC3=CC=CC(=C3)F)C

InChI

InChI=1S/C20H19FN2O2S2/c1-3-25-19(24)17-12(2)22-20(26)23-18(17)13-7-9-15(10-8-13)27-16-6-4-5-14(21)11-16/h4-11,18H,3H2,1-2H3,(H2,22,23,26)