methyl 2-[[4-[(3-chlorophenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[(3-chlorophenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(3-chlorophenyl)carbamothioylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-chlorophenyl)carbamothioylamino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(3-chlorophenyl)thiocarbamoylamino]-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-13-19(24-21(29)23-17-9-6-8-16(22)11-17)14(2)26(25-13)12-15-7-4-5-10-18(15)20(27)28-3/h4-11H,12H2,1-3H3,(H2,23,24,29)