N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=CC=CC=[N+]2[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=CC=CC=[N+]2[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5S/c1-10-7-12(18(21)22)13(23-2)8-11(10)16-14(19)9-24-15-5-3-4-6-17(15)20/h3-8H,9H2,1-2H3,(H,16,19)