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

Systemtic Name: propan-2-yl 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[[1-[(3-chlorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[1-(3-chlorobenzyl)pyrazol-4-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=CN(N=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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