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

Systemtic Name: propan-2-yl 4-[(2,4-dichlorophenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(2,4-dichlorophenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2,4-dichlorophenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(2,4-dichlorophenyl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C16H18Cl2N4O2S MolecularWeight: 401.31072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2N4O2S/c1-4-22-8-13(14(21-22)15(23)24-9(2)3)20-16(25)19-12-6-5-10(17)7-11(12)18/h5-9H,4H2,1-3H3,(H2,19,20,25)