4-[3-azanyl-3-sulfanylidene-2-[4-(trifluoromethyloxy)phenyl]propyl]benzoic acid

Systemtic Name: 4-[3-azanyl-3-sulfanylidene-2-[4-(trifluoromethyloxy)phenyl]propyl]benzoic acid Openeye Name: 4-[3-amino-3-thioxo-2-[4-(trifluoromethoxy)phenyl]propyl]benzoic acid CAS Name: 4-[3-amino-3-sulfanylidene-2-[4-(trifluoromethoxy)phenyl]propyl]benzoic acid IUPAC Name: 4-[3-amino-3-sulfanylidene-2-[4-(trifluoromethoxy)phenyl]propyl]benzoic acid Traditional Name: 4-[3-amino-3-thioxo-2-[4-(trifluoromethoxy)phenyl]propyl]benzoic acid Formula: C17H14F3NO3S MolecularWeight: 369.35817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C2=CC=C(C=C2)OC(F)(F)F)C(=S)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C2=CC=C(C=C2)OC(F)(F)F)C(=S)N)C(=O)O

InChI

InChI=1S/C17H14F3NO3S/c18-17(19,20)24-13-7-5-11(6-8-13)14(15(21)25)9-10-1-3-12(4-2-10)16(22)23/h1-8,14H,9H2,(H2,21,25)(H,22,23)