4-(2-azanyl-2-sulfanylidene-ethyl)benzoic acid

Systemtic Name: 4-(2-azanyl-2-sulfanylidene-ethyl)benzoic acid Openeye Name: 4-(2-amino-2-thioxo-ethyl)benzoic acid CAS Name: 4-(2-amino-2-sulfanylideneethyl)benzoic acid IUPAC Name: 4-(2-amino-2-sulfanylideneethyl)benzoic acid Traditional Name: 4-(2-amino-2-thioxo-ethyl)benzoic acid Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=S)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=S)N)C(=O)O

InChI

InChI=1S/C9H9NO2S/c10-8(13)5-6-1-3-7(4-2-6)9(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)