N-(5-bromanylpyridin-2-yl)-3-methyl-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-3-methyl-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: N-(5-bromo-2-pyridyl)-3-methyl-2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-butanamide CAS Name: N-(5-bromo-2-pyridinyl)-3-methyl-2-[[2-(2-nitroanilino)-2-oxoethyl]thio]butanamide IUPAC Name: N-(5-bromopyridin-2-yl)-3-methyl-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanylbutanamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[2-keto-2-(2-nitroanilino)ethyl]thio]-3-methyl-butyramide Formula: C18H19BrN4O4S MolecularWeight: 467.33686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC=C(C=C1)Br)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC1=NC=C(C=C1)Br)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN4O4S/c1-11(2)17(18(25)22-15-8-7-12(19)9-20-15)28-10-16(24)21-13-5-3-4-6-14(13)23(26)27/h3-9,11,17H,10H2,1-2H3,(H,21,24)(H,20,22,25)