3-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-benzylsulfanyl-5-chloro-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-[5-chloro-2-(phenylmethylthio)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-benzylsulfanyl-5-chlorophenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[2-(benzylthio)-5-chloro-phenyl]-1H-pyrazole-5-carboxylic acid Formula: C17H13ClN2O2S MolecularWeight: 344.81532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=NNC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C17H13ClN2O2S/c18-12-6-7-16(23-10-11-4-2-1-3-5-11)13(8-12)14-9-15(17(21)22)20-19-14/h1-9H,10H2,(H,19,20)(H,21,22)