ethyl 5-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-[(4-fluorobenzyl)thio]acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3S/c1-2-28-21(27)18-12-23-25(17-6-4-3-5-7-17)20(18)24-19(26)14-29-13-15-8-10-16(22)11-9-15/h3-12H,2,13-14H2,1H3,(H,24,26)