2-methyl-5-(1-methylbenzimidazol-2-yl)thiophene-3-sulfonate

Systemtic Name: 2-methyl-5-(1-methylbenzimidazol-2-yl)thiophene-3-sulfonate Openeye Name: 2-methyl-5-(1-methylbenzimidazol-2-yl)thiophene-3-sulfonate CAS Name: 2-methyl-5-(1-methyl-2-benzimidazolyl)-3-thiophenesulfonate IUPAC Name: 2-methyl-5-(1-methylbenzimidazol-2-yl)thiophene-3-sulfonate Traditional Name: 2-methyl-5-(1-methylbenzimidazol-2-yl)thiophene-3-sulfonate Formula: C13H11N2O3S2- MolecularWeight: 307.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=NC3=CC=CC=C3N2C)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C2=NC3=CC=CC=C3N2C)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12N2O3S2/c1-8-12(20(16,17)18)7-11(19-8)13-14-9-5-3-4-6-10(9)15(13)2/h3-7H,1-2H3,(H,16,17,18)/p-1