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

Systemtic Name: propan-2-yl 3-[[5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazol-2-yl]carbonylamino]benzoate Openeye Name: isopropyl 3-[[5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carbonyl]amino]benzoate CAS Name: 3-[[[5-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-3H-pyrazol-2-yl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carbonyl]amino]benzoate Traditional Name: 3-[[3-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-2-pyrazoline-1-carbonyl]amino]benzoic acid isopropyl ester Formula: C25H30ClN3O3S MolecularWeight: 488.042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)CCCSC

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)CCCSC

InChI

InChI=1S/C25H30ClN3O3S/c1-17(2)32-23(30)19-7-5-8-21(15-19)27-24(31)29-16-25(3,13-6-14-33-4)22(28-29)18-9-11-20(26)12-10-18/h5,7-12,15,17H,6,13-14,16H2,1-4H3,(H,27,31)