2-(1H-imidazol-2-ylmethyl)-5-nitro-2-prop-2-enyl-6-(trifluoromethyl)-3H-1-benzothiophen-3-ol

Systemtic Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-2-prop-2-enyl-6-(trifluoromethyl)-3H-1-benzothiophen-3-ol Openeye Name: 2-allyl-2-(1H-imidazol-2-ylmethyl)-5-nitro-6-(trifluoromethyl)-3H-benzothiophen-3-ol CAS Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-2-prop-2-enyl-6-(trifluoromethyl)-3H-1-benzothiophen-3-ol IUPAC Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-2-prop-2-enyl-6-(trifluoromethyl)-3H-1-benzothiophen-3-ol Traditional Name: 2-allyl-2-(1H-imidazol-2-ylmethyl)-5-nitro-6-(trifluoromethyl)-3H-benzothiophen-3-ol Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(C2=CC(=C(C=C2S1)C(F)(F)F)[N+](=O)[O-])O)CC3=NC=CN3

Isomeric SMILES

C=CCC1(C(C2=CC(=C(C=C2S1)C(F)(F)F)[N+](=O)[O-])O)CC3=NC=CN3

InChI

InChI=1S/C16H14F3N3O3S/c1-2-3-15(8-13-20-4-5-21-13)14(23)9-6-11(22(24)25)10(16(17,18)19)7-12(9)26-15/h2,4-7,14,23H,1,3,8H2,(H,20,21)