8-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]naphthalene-1-sulfonic acid

Systemtic Name: 8-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]naphthalene-1-sulfonic acid Openeye Name: 8-[[1-(2-pyridyl)ethylideneamino]carbamothioylamino]naphthalene-1-sulfonic acid CAS Name: 8-[[[2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 8-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]naphthalene-1-sulfonic acid Traditional Name: 8-[[1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]naphthalene-1-sulfonic acid Formula: C18H16N4O3S2 MolecularWeight: 400.47464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=CC2=C1C(=CC=C2)S(=O)(=O)O)C3=CC=CC=N3

Isomeric SMILES

CC(=NNC(=S)NC1=CC=CC2=C1C(=CC=C2)S(=O)(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C18H16N4O3S2/c1-12(14-8-2-3-11-19-14)21-22-18(26)20-15-9-4-6-13-7-5-10-16(17(13)15)27(23,24)25/h2-11H,1H3,(H2,20,22,26)(H,23,24,25)