5-nitro-2-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid

Systemtic Name: 5-nitro-2-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid Openeye Name: 5-nitro-2-[[(Z)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]benzenesulfonic acid CAS Name: 5-nitro-2-[[[(2Z)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzenesulfonic acid IUPAC Name: 5-nitro-2-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid Traditional Name: 5-nitro-2-[[(Z)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]besylic acid Formula: C14H13N5O5S2 MolecularWeight: 395.41352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O)C2=CC=CC=N2

Isomeric SMILES

C/C(=N/NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O)/C2=CC=CC=N2

InChI

InChI=1S/C14H13N5O5S2/c1-9(11-4-2-3-7-15-11)17-18-14(25)16-12-6-5-10(19(20)21)8-13(12)26(22,23)24/h2-8H,1H3,(H2,16,18,25)(H,22,23,24)/b17-9-