2-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)sulfanylbenzoic acid

Systemtic Name: 2-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)sulfanylbenzoic acid Openeye Name: 2-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)sulfanylbenzoic acid CAS Name: 2-[(5-amino-3-methyl-1-phenyl-4-pyrazolyl)thio]benzoic acid IUPAC Name: 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)thio]benzoic acid Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2C(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2C(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-11-15(23-14-10-6-5-9-13(14)17(21)22)16(18)20(19-11)12-7-3-2-4-8-12/h2-10H,18H2,1H3,(H,21,22)