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

Systemtic Name: propan-2-yl 1-ethyl-4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[1-(o-tolylmethyl)pyrazol-3-yl]carbamothioylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[[1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[1-(2-methylbenzyl)pyrazol-3-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=NN(C=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3C

InChI

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