3-[(phenylmethyl)-(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[(phenylmethyl)-(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[benzyl(3-thienylmethyl)amino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(phenylmethyl)-(3-thiophenylmethyl)amino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[benzyl(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[benzyl(3-thenyl)amino]-1H-pyrazole-5-carboxylic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c20-16(21)14-8-15(18-17-14)19(10-13-6-7-22-11-13)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,17,18)(H,20,21)