3,5-bis(azanyl)-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3,5-bis(azanyl)-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3,5-diamino-2-benzylsulfanyl-benzoic acid CAS Name: 3,5-diamino-2-(phenylmethylthio)benzoic acid IUPAC Name: 3,5-diamino-2-benzylsulfanylbenzoic acid Traditional Name: 3,5-diamino-2-(benzylthio)benzoic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(=O)O)N)N

InChI

InChI=1S/C14H14N2O2S/c15-10-6-11(14(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9/h1-7H,8,15-16H2,(H,17,18)