propan-2-yl 1-ethyl-4-[(4-ethylphenyl)carbamothioylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[(4-ethylphenyl)carbamothioylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[(4-ethylphenyl)carbamothioylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(4-ethylanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[(4-ethylphenyl)carbamothioylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(4-ethylphenyl)thiocarbamoylamino]pyrazole-3-carboxylic acid isopropyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2C(=O)OC(C)C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2C(=O)OC(C)C)CC

InChI

InChI=1S/C18H24N4O2S/c1-5-13-7-9-14(10-8-13)19-18(25)20-15-11-22(6-2)21-16(15)17(23)24-12(3)4/h7-12H,5-6H2,1-4H3,(H2,19,20,25)