2-methylsulfanyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1-pyridin-3-ylbutyl)ethanamide

Systemtic Name: 2-methylsulfanyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1-pyridin-3-ylbutyl)ethanamide Openeye Name: 2-methylsulfanyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-N-[1-(3-pyridyl)butyl]acetamide CAS Name: 2-(methylthio)-N-[2-nitro-4-(trifluoromethyl)phenyl]-N-[1-(3-pyridinyl)butyl]acetamide IUPAC Name: 2-methylsulfanyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1-pyridin-3-ylbutyl)acetamide Traditional Name: 2-(methylthio)-N-[2-nitro-4-(trifluoromethyl)phenyl]-N-[1-(3-pyridyl)butyl]acetamide Formula: C19H20F3N3O3S MolecularWeight: 427.44061

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN=CC=C1)N(C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CSC

Isomeric SMILES

CCCC(C1=CN=CC=C1)N(C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CSC

InChI

InChI=1S/C19H20F3N3O3S/c1-3-5-15(13-6-4-9-23-11-13)24(18(26)12-29-2)16-8-7-14(19(20,21)22)10-17(16)25(27)28/h4,6-11,15H,3,5,12H2,1-2H3