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

Systemtic Name: 1-butylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Openeye Name: 1-butylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol CAS Name: 1-(butylthio)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]-2-propanol IUPAC Name: 1-butylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Traditional Name: 1-(butylthio)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Formula: C16H19F3N2O3S MolecularWeight: 376.39387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O3S/c1-3-4-5-25-9-15(2,22)14-7-10-6-13(21(23)24)11(16(17,18)19)8-12(10)20-14/h6-8,20,22H,3-5,9H2,1-2H3