5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-(2-methyl-1-methylsulfanyl-propan-2-yl)-2-nitro-aniline

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-(2-methyl-1-methylsulfanyl-propan-2-yl)-2-nitro-aniline Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(1,1-dimethyl-2-methylsulfanyl-ethyl)-2-nitro-aniline CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[2-methyl-1-(methylthio)propan-2-yl]-2-nitroaniline IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-nitroaniline Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-[1,1-dimethyl-2-(methylthio)ethyl]amine Formula: C18H18ClF3N2O3S MolecularWeight: 434.86033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CSC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClF3N2O3S/c1-17(2,10-28-3)23-14-9-12(5-6-15(14)24(25)26)27-16-7-4-11(8-13(16)19)18(20,21)22/h4-9,23H,10H2,1-3H3