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

Systemtic Name: 2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(phenylmethylsulfanyl)propan-2-ol Openeye Name: 1-benzylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol CAS Name: 2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(phenylmethylthio)-2-propanol IUPAC Name: 1-benzylsulfanyl-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Traditional Name: 1-(benzylthio)-2-[5-nitro-6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol Formula: C19H17F3N2O3S MolecularWeight: 410.41009

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)(C2=CC3=CC(=C(C=C3N2)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC(CSCC1=CC=CC=C1)(C2=CC3=CC(=C(C=C3N2)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C19H17F3N2O3S/c1-18(25,11-28-10-12-5-3-2-4-6-12)17-8-13-7-16(24(26)27)14(19(20,21)22)9-15(13)23-17/h2-9,23,25H,10-11H2,1H3