N-(4-methylpyridin-2-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-methylpyridin-2-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(4-methyl-2-pyridyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(4-methyl-2-pyridinyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(4-methylpyridin-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4-methyl-2-pyridyl)-4-(methylthio)-3-nitro-benzamide Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3S/c1-9-5-6-15-13(7-9)16-14(18)10-3-4-12(21-2)11(8-10)17(19)20/h3-8H,1-2H3,(H,15,16,18)