N-(3-methylbutyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-isopentyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-isoamyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C14H17F3N2O3S MolecularWeight: 350.35659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H17F3N2O3S/c1-9(2)5-6-18-13(20)8-23-12-4-3-10(14(15,16)17)7-11(12)19(21)22/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,20)