3-[2-phenyl-4-[(3-sulfanylphenyl)methylamino]phenyl]benzoic acid

Systemtic Name: 3-[2-phenyl-4-[(3-sulfanylphenyl)methylamino]phenyl]benzoic acid Openeye Name: 3-[2-phenyl-4-[(3-sulfanylphenyl)methylamino]phenyl]benzoic acid CAS Name: 3-[4-[(3-mercaptophenyl)methylamino]-2-phenylphenyl]benzoic acid IUPAC Name: 3-[2-phenyl-4-[(3-sulfanylphenyl)methylamino]phenyl]benzoic acid Traditional Name: 3-[4-[(3-mercaptobenzyl)amino]-2-phenyl-phenyl]benzoic acid Formula: C26H21NO2S MolecularWeight: 411.51544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC3=CC(=CC=C3)S)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC3=CC(=CC=C3)S)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C26H21NO2S/c28-26(29)21-10-5-9-20(15-21)24-13-12-22(16-25(24)19-7-2-1-3-8-19)27-17-18-6-4-11-23(30)14-18/h1-16,27,30H,17H2,(H,28,29)