2-azanyl-8-[2-(ethanethioylamino)ethyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-8-[2-(ethanethioylamino)ethyl]naphthalene-1-sulfonic acid Openeye Name: 2-amino-8-[2-(ethanethioylamino)ethyl]naphthalene-1-sulfonic acid CAS Name: 2-amino-8-[2-(1-sulfanylideneethylamino)ethyl]-1-naphthalenesulfonic acid IUPAC Name: 2-amino-8-[2-(ethanethioylamino)ethyl]naphthalene-1-sulfonic acid Traditional Name: 2-amino-8-[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(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CC(=S)NCCC1=CC=CC2=C1C(=C(C=C2)N)S(=O)(=O)O

InChI

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