benzenethiol; 2-phenylazanyl-4-sulfanyl-butanoic acid

Systemtic Name: benzenethiol; 2-phenylazanyl-4-sulfanyl-butanoic acid Openeye Name: 2-anilino-4-sulfanyl-butanoic acid; benzenethiol CAS Name: 2-anilino-4-mercaptobutanoic acid; benzenethiol IUPAC Name: 2-anilino-4-sulfanylbutanoic acid; benzenethiol Traditional Name: 2-anilino-4-mercapto-butyric acid; benzenethiol Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CCS)C(=O)O.C1=CC=C(C=C1)S

Isomeric SMILES

C1=CC=C(C=C1)NC(CCS)C(=O)O.C1=CC=C(C=C1)S

InChI

InChI=1S/C10H13NO2S.C6H6S/c12-10(13)9(6-7-14)11-8-4-2-1-3-5-8;7-6-4-2-1-3-5-6/h1-5,9,11,14H,6-7H2,(H,12,13);1-5,7H