2-azanyl-4-(ethanethioylamino)-3-ethyl-naphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-4-(ethanethioylamino)-3-ethyl-naphthalene-1-sulfonic acid Openeye Name: 2-amino-4-(ethanethioylamino)-3-ethyl-naphthalene-1-sulfonic acid CAS Name: 2-amino-3-ethyl-4-(1-sulfanylideneethylamino)-1-naphthalenesulfonic acid IUPAC Name: 2-amino-4-(ethanethioylamino)-3-ethylnaphthalene-1-sulfonic acid Traditional Name: 2-amino-3-ethyl-4-(thioacetylamino)naphthalene-1-sulfonic acid Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2C(=C1N)S(=O)(=O)O)NC(=S)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2C(=C1N)S(=O)(=O)O)NC(=S)C

InChI

InChI=1S/C14H16N2O3S2/c1-3-9-12(15)14(21(17,18)19)11-7-5-4-6-10(11)13(9)16-8(2)20/h4-7H,3,15H2,1-2H3,(H,16,20)(H,17,18,19)