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

Systemtic Name: 2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]-1-propan-2-ylsulfanyl-propan-2-ol Openeye Name: 1-isopropylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol CAS Name: 2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(propan-2-ylthio)-2-propanol IUPAC Name: 2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]-1-propan-2-ylsulfanylpropan-2-ol Traditional Name: 1-(isopropylthio)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Formula: C15H17F3N2O3S MolecularWeight: 362.36729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N2O3S/c1-8(2)24-7-14(3,21)13-5-9-4-12(20(22)23)10(15(16,17)18)6-11(9)19-13/h4-6,8,19,21H,7H2,1-3H3