propan-2-yl 4-[[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[2-(difluoromethoxy)-5-methyl-phenyl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[2-(difluoromethoxy)-5-methylanilino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(difluoromethoxy)-5-methylphenyl]carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[2-(difluoromethoxy)-5-methyl-phenyl]thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C18H22F2N4O3S MolecularWeight: 412.454086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F2N4O3S/c1-5-24-9-13(15(23-24)16(25)26-10(2)3)22-18(28)21-12-8-11(4)6-7-14(12)27-17(19)20/h6-10,17H,5H2,1-4H3,(H2,21,22,28)