3-azanyl-4-phenyl-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-azanyl-4-phenyl-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-amino-5-benzylsulfanyl-4-phenyl-benzoic acid CAS Name: 3-amino-4-phenyl-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-amino-5-benzylsulfanyl-4-phenylbenzoic acid Traditional Name: 3-amino-5-(benzylthio)-4-phenyl-benzoic acid Formula: C20H17NO2S MolecularWeight: 335.41948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C3=CC=CC=C3)N)C(=O)O

InChI

InChI=1S/C20H17NO2S/c21-17-11-16(20(22)23)12-18(19(17)15-9-5-2-6-10-15)24-13-14-7-3-1-4-8-14/h1-12H,13,21H2,(H,22,23)