4-(4-methylsulfanylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(4-methylsulfanylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Openeye Name: 4-(4-methylsulfanylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 4-[4-(methylthio)phenyl]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-methylsulfanylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-[4-(methylthio)phenyl]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CN(N=C2C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CN(N=C2C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4S/c1-25-14-8-2-11(3-9-14)15-10-19(18-16(15)17(21)22)12-4-6-13(7-5-12)20(23)24/h2-10H,1H3,(H,21,22)