1-(furan-2-ylmethylsulfanyl)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol

Systemtic Name: 1-(furan-2-ylmethylsulfanyl)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Openeye Name: 1-(2-furylmethylsulfanyl)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol CAS Name: 1-(2-furanylmethylthio)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]-2-propanol IUPAC Name: 1-(furan-2-ylmethylsulfanyl)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Traditional Name: 1-(2-furfurylthio)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Formula: C17H15F3N2O4S MolecularWeight: 400.37221

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CO1)(C2=CC3=CC(=C(C=C3N2)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC(CSCC1=CC=CO1)(C2=CC3=CC(=C(C=C3N2)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C17H15F3N2O4S/c1-16(23,9-27-8-11-3-2-4-26-11)15-6-10-5-14(22(24)25)12(17(18,19)20)7-13(10)21-15/h2-7,21,23H,8-9H2,1H3