propan-2-yl 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[[1-[(2,4-dichlorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[1-(2,4-dichlorobenzyl)pyrazol-4-yl]thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C20H22Cl2N6O2S MolecularWeight: 481.39868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N6O2S/c1-4-27-11-17(18(26-27)19(29)30-12(2)3)25-20(31)24-15-8-23-28(10-15)9-13-5-6-14(21)7-16(13)22/h5-8,10-12H,4,9H2,1-3H3,(H2,24,25,31)