2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]benzoic acid IUPAC Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]benzoic acid Formula: C14H10F3NO2S MolecularWeight: 313.29491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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