N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-(3-nitrophenyl)-2-thiazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H12N4O4S2 MolecularWeight: 388.42088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H12N4O4S2/c21-14(10-25-15-6-1-2-7-19(15)22)18-16-17-13(9-26-16)11-4-3-5-12(8-11)20(23)24/h1-9H,10H2,(H,17,18,21)