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

Systemtic Name: propan-2-yl 4-[(3-chlorophenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(3-chlorophenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-chlorophenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(3-chlorophenyl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C16H19ClN4O2S MolecularWeight: 366.86566

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H19ClN4O2S/c1-4-21-9-13(14(20-21)15(22)23-10(2)3)19-16(24)18-12-7-5-6-11(17)8-12/h5-10H,4H2,1-3H3,(H2,18,19,24)