[4-(sulfanylmethyl)thiophen-3-yl] 1-methylimidazole-4-sulfonate

Systemtic Name: [4-(sulfanylmethyl)thiophen-3-yl] 1-methylimidazole-4-sulfonate Openeye Name: [4-(sulfanylmethyl)-3-thienyl] 1-methylimidazole-4-sulfonate CAS Name: 1-methyl-4-imidazolesulfonic acid [4-(mercaptomethyl)-3-thiophenyl] ester IUPAC Name: [4-(sulfanylmethyl)thiophen-3-yl] 1-methylimidazole-4-sulfonate Traditional Name: 1-methylimidazole-4-sulfonic acid [4-(mercaptomethyl)-3-thienyl] ester Formula: C9H10N2O3S3 MolecularWeight: 290.3823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)OC2=CSC=C2CS

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)OC2=CSC=C2CS

InChI

InChI=1S/C9H10N2O3S3/c1-11-2-9(10-6-11)17(12,13)14-8-5-16-4-7(8)3-15/h2,4-6,15H,3H2,1H3