prop-2-enyl (4S)-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl (4S)-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: allyl (4S)-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid allyl ester Formula: C24H21ClN4O2S MolecularWeight: 464.96714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OCC=C

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OCC=C

InChI

InChI=1S/C24H21ClN4O2S/c1-3-13-31-23(30)20-15(2)26-24(32)27-22(20)19-14-29(18-7-5-4-6-8-18)28-21(19)16-9-11-17(25)12-10-16/h3-12,14,22H,1,13H2,2H3,(H2,26,27,32)/t22-/m0/s1