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

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

Systemtic Name:2-(1H-imidazol-2-ylmethyl)-6-nitro-2,3-dihydro-1-benzothiophen-3-ol
Openeye Name:2-(1H-imidazol-2-ylmethyl)-6-nitro-2,3-dihydrobenzothiophen-3-ol
CAS Name:2-(1H-imidazol-2-ylmethyl)-6-nitro-2,3-dihydro-1-benzothiophen-3-ol
IUPAC Name:2-(1H-imidazol-2-ylmethyl)-6-nitro-2,3-dihydro-1-benzothiophen-3-ol
Traditional Name:2-(1H-imidazol-2-ylmethyl)-6-nitro-2,3-dihydrobenzothiophen-3-ol
Formula: C12H11N3O3S
MolecularWeight: 277.29904
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(C2O)CC3=NC=CN3


Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(C2O)CC3=NC=CN3


InChI

InChI=1S/C12H11N3O3S/c16-12-8-2-1-7(15(17)18)5-9(8)19-10(12)6-11-13-3-4-14-11/h1-5,10,12,16H,6H2,(H,13,14)


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