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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[2-[(4-methylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[2-[(4-methyl-2-pyridyl)amino]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[(4-methyl-2-pyridyl)amino]ethyl]thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N4O4S/c1-11-5-6-18-15(7-11)20-17(23)10-26-9-16(22)19-14-4-3-13(21(24)25)8-12(14)2/h3-8H,9-10H2,1-2H3,(H,19,22)(H,18,20,23)