2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: 2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]benzoate IUPAC Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-amino-4-(trifluoromethyl)phenyl]thio]benzoate Formula: C14H9F3NO2S- MolecularWeight: 312.28697

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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)/p-1