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

Systemtic Name: propan-2-yl 1-ethyl-4-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[1-(p-tolylmethyl)pyrazol-4-yl]carbamothioylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[[1-[(4-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[1-(4-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]pyrazole-3-carboxylic acid isopropyl ester Formula: C21H26N6O2S MolecularWeight: 426.53514

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2S/c1-5-26-13-18(19(25-26)20(28)29-14(2)3)24-21(30)23-17-10-22-27(12-17)11-16-8-6-15(4)7-9-16/h6-10,12-14H,5,11H2,1-4H3,(H2,23,24,30)