4-cyclohexylsulfanyl-2-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-cyclohexylsulfanyl-2-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-cyclohexylsulfanyl-2-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-(cyclohexylthio)-2-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-cyclohexylsulfanyl-2-phenylpyrazole-3-carboxylic acid Traditional Name: 4-(cyclohexylthio)-2-phenyl-pyrazole-3-carboxylic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(N(N=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)SC2=C(N(N=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H18N2O2S/c19-16(20)15-14(21-13-9-5-2-6-10-13)11-17-18(15)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,19,20)