methyl 4-[[5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazol-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazol-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-3H-pyrazol-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-2-pyrazoline-1-carbonyl]amino]benzoic acid methyl ester Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)OC)CCCSC

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)OC)CCCSC

InChI

InChI=1S/C23H26ClN3O3S/c1-23(13-4-14-31-3)15-27(26-20(23)16-5-9-18(24)10-6-16)22(29)25-19-11-7-17(8-12-19)21(28)30-2/h5-12H,4,13-15H2,1-3H3,(H,25,29)