5-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)imidazole-1-sulfonic acid

Systemtic Name: 5-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)imidazole-1-sulfonic acid Openeye Name: 5-(4,5,6,7-tetrahydrobenzothiophen-2-ylmethyl)imidazole-1-sulfonic acid CAS Name: 5-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)-1-imidazolesulfonic acid IUPAC Name: 5-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)imidazole-1-sulfonic acid Traditional Name: 5-(4,5,6,7-tetrahydrobenzothiophen-2-ylmethyl)imidazole-1-sulfonic acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)CC3=CN=CN3S(=O)(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)CC3=CN=CN3S(=O)(=O)O

InChI

InChI=1S/C12H14N2O3S2/c15-19(16,17)14-8-13-7-10(14)6-11-5-9-3-1-2-4-12(9)18-11/h5,7-8H,1-4,6H2,(H,15,16,17)