N-(4-methyl-2-nitro-phenyl)-2-[2-[(3-methylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-[2-[(3-methylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-[2-[(3-methyl-2-pyridyl)amino]-2-oxo-ethyl]sulfanyl-pentanamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thio]pentanamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-[2-[(3-methylpyridin-2-yl)amino]-2-oxoethyl]sulfanylpentanamide Traditional Name: 2-[[2-keto-2-[(3-methyl-2-pyridyl)amino]ethyl]thio]-N-(4-methyl-2-nitro-phenyl)valeramide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-])SCC(=O)NC2=C(C=CC=N2)C

Isomeric SMILES

CCCC(C(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-])SCC(=O)NC2=C(C=CC=N2)C

InChI

InChI=1S/C20H24N4O4S/c1-4-6-17(29-12-18(25)23-19-14(3)7-5-10-21-19)20(26)22-15-9-8-13(2)11-16(15)24(27)28/h5,7-11,17H,4,6,12H2,1-3H3,(H,22,26)(H,21,23,25)