4-ethylsulfanyl-N-(6-methylpyridin-1-ium-2-yl)-3-nitro-benzamide

Systemtic Name: 4-ethylsulfanyl-N-(6-methylpyridin-1-ium-2-yl)-3-nitro-benzamide Openeye Name: 4-ethylsulfanyl-N-(6-methylpyridin-1-ium-2-yl)-3-nitro-benzamide CAS Name: 4-(ethylthio)-N-(6-methyl-2-pyridin-1-iumyl)-3-nitrobenzamide IUPAC Name: 4-ethylsulfanyl-N-(6-methylpyridin-1-ium-2-yl)-3-nitrobenzamide Traditional Name: 4-(ethylthio)-N-(6-methylpyridin-1-ium-2-yl)-3-nitro-benzamide Formula: C15H16N3O3S+ MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=[NH+]2)C)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=[NH+]2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O3S/c1-3-22-13-8-7-11(9-12(13)18(20)21)15(19)17-14-6-4-5-10(2)16-14/h4-9H,3H2,1-2H3,(H,16,17,19)/p+1