N-[(4,6-dimethyl-2-methylsulfanyl-pyridin-3-yl)methyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(4,6-dimethyl-2-methylsulfanyl-pyridin-3-yl)methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(4,6-dimethyl-2-methylsulfanyl-3-pyridyl)methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4,6-dimethyl-2-(methylthio)-3-pyridinyl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(4,6-dimethyl-2-methylsulfanylpyridin-3-yl)methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4,6-dimethyl-2-(methylthio)-3-pyridyl]methyl]-2-methyl-3-nitro-benzamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)SC)C

Isomeric SMILES

CC1=CC(=NC(=C1CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)SC)C

InChI

InChI=1S/C17H19N3O3S/c1-10-8-11(2)19-17(24-4)14(10)9-18-16(21)13-6-5-7-15(12(13)3)20(22)23/h5-8H,9H2,1-4H3,(H,18,21)