3-azanyl-4-(4-methylphenyl)sulfanyl-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-azanyl-4-(4-methylphenyl)sulfanyl-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-amino-5-benzylsulfanyl-4-(p-tolylsulfanyl)benzoic acid CAS Name: 3-amino-4-[(4-methylphenyl)thio]-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-amino-5-benzylsulfanyl-4-(4-methylphenyl)sulfanylbenzoic acid Traditional Name: 3-amino-5-(benzylthio)-4-(p-tolylthio)benzoic acid Formula: C21H19NO2S2 MolecularWeight: 381.51106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2SCC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2SCC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C21H19NO2S2/c1-14-7-9-17(10-8-14)26-20-18(22)11-16(21(23)24)12-19(20)25-13-15-5-3-2-4-6-15/h2-12H,13,22H2,1H3,(H,23,24)