2-azanyl-5-[2-(ethanethioylamino)ethyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-5-[2-(ethanethioylamino)ethyl]naphthalene-1-sulfonic acid Openeye Name: 2-amino-5-[2-(ethanethioylamino)ethyl]naphthalene-1-sulfonic acid CAS Name: 2-amino-5-[2-(1-sulfanylideneethylamino)ethyl]-1-naphthalenesulfonic acid IUPAC Name: 2-amino-5-[2-(ethanethioylamino)ethyl]naphthalene-1-sulfonic acid Traditional Name: 2-amino-5-[2-(thioacetylamino)ethyl]naphthalene-1-sulfonic acid Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCCC1=CC=CC2=C1C=CC(=C2S(=O)(=O)O)N

Isomeric SMILES

CC(=S)NCCC1=CC=CC2=C1C=CC(=C2S(=O)(=O)O)N

InChI

InChI=1S/C14H16N2O3S2/c1-9(20)16-8-7-10-3-2-4-12-11(10)5-6-13(15)14(12)21(17,18)19/h2-6H,7-8,15H2,1H3,(H,16,20)(H,17,18,19)