methyl 4-propyl-2-sulfanylidene-6-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-propyl-2-sulfanylidene-6-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-propyl-6-(3-thienyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-propyl-2-sulfanylidene-6-(3-thiophenyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-propyl-2-sulfanylidene-6-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-propyl-6-(3-thienyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19F3N2O2S2 MolecularWeight: 440.50227

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CSC=C3)C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CSC=C3)C(=O)OC

InChI

InChI=1S/C20H19F3N2O2S2/c1-3-5-15-16(18(26)27-2)17(12-8-9-29-11-12)24-19(28)25(15)14-7-4-6-13(10-14)20(21,22)23/h4,6-11,17H,3,5H2,1-2H3,(H,24,28)