4-methylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol

Systemtic Name: 4-methylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol Openeye Name: 4-methylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol CAS Name: 4-(methylthio)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]-2-butanol IUPAC Name: 4-methylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol Traditional Name: 4-(methylthio)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol Formula: C14H15F3N2O3S MolecularWeight: 348.34071

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)(C1=CC2=CC(=C(C=C2N1)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC(CCSC)(C1=CC2=CC(=C(C=C2N1)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C14H15F3N2O3S/c1-13(20,3-4-23-2)12-6-8-5-11(19(21)22)9(14(15,16)17)7-10(8)18-12/h5-7,18,20H,3-4H2,1-2H3