3-azanyl-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid

Systemtic Name: 3-azanyl-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid Openeye Name: 3-amino-4-phenyl-5-(3-thienylmethylsulfanyl)benzoic acid CAS Name: 3-amino-4-phenyl-5-(3-thiophenylmethylthio)benzoic acid IUPAC Name: 3-amino-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid Traditional Name: 3-amino-4-phenyl-5-(3-thenylthio)benzoic acid Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2SCC3=CSC=C3)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2SCC3=CSC=C3)C(=O)O)N

InChI

InChI=1S/C18H15NO2S2/c19-15-8-14(18(20)21)9-16(23-11-12-6-7-22-10-12)17(15)13-4-2-1-3-5-13/h1-10H,11,19H2,(H,20,21)