ethyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-chloro-4-fluorophenyl)-4-methyl-6-(1-methyl-4-pyrazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-chloro-4-fluorophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H18ClFN4O2S MolecularWeight: 408.877523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CN(N=C2)C)C3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CN(N=C2)C)C3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C18H18ClFN4O2S/c1-4-26-17(25)15-10(2)24(12-5-6-14(20)13(19)7-12)18(27)22-16(15)11-8-21-23(3)9-11/h5-9,16H,4H2,1-3H3,(H,22,27)/t16-/m0/s1