N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-4-(methylthio)-3-nitro-benzamide Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O4S/c1-9-6-10(2)18-16(21)12(9)8-17-15(20)11-4-5-14(24-3)13(7-11)19(22)23/h4-7H,8H2,1-3H3,(H,17,20)(H,18,21)