N4-butyl-N4-ethyl-6-methyl-N2-(2-methylsulfanyl-4-propan-2-yl-phenyl)-3-nitro-pyridine-2,4-diamine

Systemtic Name: N4-butyl-N4-ethyl-6-methyl-N2-(2-methylsulfanyl-4-propan-2-yl-phenyl)-3-nitro-pyridine-2,4-diamine Openeye Name: N4-butyl-N4-ethyl-N2-(4-isopropyl-2-methylsulfanyl-phenyl)-6-methyl-3-nitro-pyridine-2,4-diamine CAS Name: N4-butyl-N4-ethyl-6-methyl-N2-[2-(methylthio)-4-propan-2-ylphenyl]-3-nitropyridine-2,4-diamine IUPAC Name: 4-N-butyl-4-N-ethyl-6-methyl-2-N-(2-methylsulfanyl-4-propan-2-ylphenyl)-3-nitropyridine-2,4-diamine Traditional Name: butyl-ethyl-[2-[4-isopropyl-2-(methylthio)anilino]-6-methyl-3-nitro-4-pyridyl]amine Formula: C22H32N4O2S MolecularWeight: 416.58008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=CC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)SC)C

Isomeric SMILES

CCCCN(CC)C1=CC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)SC)C

InChI

InChI=1S/C22H32N4O2S/c1-7-9-12-25(8-2)19-13-16(5)23-22(21(19)26(27)28)24-18-11-10-17(15(3)4)14-20(18)29-6/h10-11,13-15H,7-9,12H2,1-6H3,(H,23,24)