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

Systemtic Name: propan-2-yl 1-ethyl-4-[(3-methoxyphenyl)carbamothioylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[(3-methoxyphenyl)carbamothioylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[(3-methoxyphenyl)carbamothioylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(3-methoxyphenyl)thiocarbamoylamino]pyrazole-3-carboxylic acid isopropyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-5-21-10-14(15(20-21)16(22)24-11(2)3)19-17(25)18-12-7-6-8-13(9-12)23-4/h6-11H,5H2,1-4H3,(H2,18,19,25)