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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC=CC(=C2C)C

InChI

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