[4-(2-pyridin-1-ium-4-ylsulfanylethanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

Systemtic Name: [4-(2-pyridin-1-ium-4-ylsulfanylethanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide Openeye Name: [4-[(2-pyridin-1-ium-4-ylsulfanylacetyl)amino]phenyl]sulfonyl-thiazol-2-yl-azanide CAS Name: [4-[[1-oxo-2-(4-pyridin-1-iumylthio)ethyl]amino]phenyl]sulfonyl-(2-thiazolyl)azanide IUPAC Name: [4-[(2-pyridin-1-ium-4-ylsulfanylacetyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide Traditional Name: [4-[[2-(pyridin-1-ium-4-ylthio)acetyl]amino]phenyl]sulfonyl-thiazol-2-yl-azanide Formula: C16H14N4O3S3 MolecularWeight: 406.50236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=CC=[NH+]C=C2)S(=O)(=O)[N-]C3=NC=CS3

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=CC=[NH+]C=C2)S(=O)(=O)[N-]C3=NC=CS3

InChI

InChI=1S/C16H14N4O3S3/c21-15(11-25-13-5-7-17-8-6-13)19-12-1-3-14(4-2-12)26(22,23)20-16-18-9-10-24-16/h1-10H,11H2,(H2,18,19,20,21)