methyl (2R)-4-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCSC(C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCS[C@H](C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-16-8-10-17(11-9-16)21-19(14-26(24-21)18-6-4-3-5-7-18)22(27)25-12-13-30-20(15-25)23(28)29-2/h3-11,14,20H,12-13,15H2,1-2H3/t20-/m1/s1