[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C23H18FN3O3S MolecularWeight: 435.470723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C23H18FN3O3S/c24-17-10-8-16(9-11-17)22(20-7-4-12-31-20)25-21(28)14-30-23(29)19-13-18(26-27-19)15-5-2-1-3-6-15/h1-13,22H,14H2,(H,25,28)(H,26,27)