2-azanyl-3-phenylsulfanyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-azanyl-3-phenylsulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 2-amino-3-phenylsulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 2-amino-3-(phenylthio)-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-amino-3-phenylsulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 2-amino-3-(phenylthio)-5-(trifluoromethyl)benzoic acid Formula: C14H10F3NO2S MolecularWeight: 313.29491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=CC(=C2)C(F)(F)F)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=CC(=C2)C(F)(F)F)C(=O)O)N

InChI

InChI=1S/C14H10F3NO2S/c15-14(16,17)8-6-10(13(19)20)12(18)11(7-8)21-9-4-2-1-3-5-9/h1-7H,18H2,(H,19,20)