1-(3-azanyl-4-phenyl-phenyl)-2-methyl-5-(trifluoromethylsulfonyl)-3H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-azanyl-4-phenyl-phenyl)-2-methyl-5-(trifluoromethylsulfonyl)-3H-pyrazole-3-carboxylic acid Openeye Name: 1-(3-amino-4-phenyl-phenyl)-2-methyl-5-(trifluoromethylsulfonyl)-3H-pyrazole-3-carboxylic acid CAS Name: 1-(3-amino-4-phenylphenyl)-2-methyl-5-(trifluoromethylsulfonyl)-3H-pyrazole-3-carboxylic acid IUPAC Name: 1-(3-amino-4-phenylphenyl)-2-methyl-5-(trifluoromethylsulfonyl)-3H-pyrazole-3-carboxylic acid Traditional Name: 1-(3-amino-4-phenyl-phenyl)-2-methyl-5-triflyl-3-pyrazoline-3-carboxylic acid Formula: C18H16F3N3O4S MolecularWeight: 427.39755

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C=C(N1C2=CC(=C(C=C2)C3=CC=CC=C3)N)S(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CN1C(C=C(N1C2=CC(=C(C=C2)C3=CC=CC=C3)N)S(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H16F3N3O4S/c1-23-15(17(25)26)10-16(29(27,28)18(19,20)21)24(23)12-7-8-13(14(22)9-12)11-5-3-2-4-6-11/h2-10,15H,22H2,1H3,(H,25,26)