2-(1H-imidazol-2-ylmethyl)-5-nitro-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-ol

Systemtic Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-ol Openeye Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-6-(trifluoromethyl)-2,3-dihydrobenzothiophen-3-ol CAS Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-ol IUPAC Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-ol Traditional Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-6-(trifluoromethyl)-2,3-dihydrobenzothiophen-3-ol Formula: C13H10F3N3O3S MolecularWeight: 345.29701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)CC2C(C3=CC(=C(C=C3S2)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

C1=CN=C(N1)CC2C(C3=CC(=C(C=C3S2)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C13H10F3N3O3S/c14-13(15,16)7-4-9-6(3-8(7)19(21)22)12(20)10(23-9)5-11-17-1-2-18-11/h1-4,10,12,20H,5H2,(H,17,18)