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

Systemtic Name: propan-2-yl 4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[[1-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[1-(2-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C20H23ClN6O2S MolecularWeight: 446.95362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN6O2S/c1-4-26-12-16(18(25-26)19(28)29-13(2)3)22-20(30)23-17-9-10-27(24-17)11-14-7-5-6-8-15(14)21/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24,30)