propan-2-yl 4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[2-chloro-5-(methylthio)benzoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3S/c1-5-21-9-14(15(20-21)17(23)24-10(2)3)19-16(22)12-8-11(25-4)6-7-13(12)18/h6-10H,5H2,1-4H3,(H,19,22)