2-[5-nitro-3-phenylsulfanyl-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol

Systemtic Name: 2-[5-nitro-3-phenylsulfanyl-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Openeye Name: 2-[5-nitro-3-phenylsulfanyl-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol CAS Name: 2-[5-nitro-3-(phenylthio)-6-(trifluoromethyl)-1H-indol-2-yl]-2-propanol IUPAC Name: 2-[5-nitro-3-phenylsulfanyl-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Traditional Name: 2-[5-nitro-3-(phenylthio)-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Formula: C18H15F3N2O3S MolecularWeight: 396.38351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C2=CC(=C(C=C2N1)C(F)(F)F)[N+](=O)[O-])SC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C1=C(C2=CC(=C(C=C2N1)C(F)(F)F)[N+](=O)[O-])SC3=CC=CC=C3)O

InChI

InChI=1S/C18H15F3N2O3S/c1-17(2,24)16-15(27-10-6-4-3-5-7-10)11-8-14(23(25)26)12(18(19,20)21)9-13(11)22-16/h3-9,22,24H,1-2H3