3-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[(4-fluorophenyl)methyl-(3-thienylmethyl)amino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(4-fluorophenyl)methyl-(3-thiophenylmethyl)amino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[(4-fluorobenzyl)-(3-thenyl)amino]-1H-pyrazole-5-carboxylic acid Formula: C16H14FN3O2S MolecularWeight: 331.364663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC2=CSC=C2)C3=NNC(=C3)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CN(CC2=CSC=C2)C3=NNC(=C3)C(=O)O)F

InChI

InChI=1S/C16H14FN3O2S/c17-13-3-1-11(2-4-13)8-20(9-12-5-6-23-10-12)15-7-14(16(21)22)18-19-15/h1-7,10H,8-9H2,(H,18,19)(H,21,22)