2-(2-dimethylaminoethylsulfanyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(2-dimethylaminoethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(2-dimethylaminoethylsulfanyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(2-dimethylaminoethylthio)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(2-dimethylaminoethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(2-dimethylaminoethylthio)-3H-benzimidazole-5-sulfonic acid Formula: C11H15N3O3S2 MolecularWeight: 301.3851

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CN(C)CCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H15N3O3S2/c1-14(2)5-6-18-11-12-9-4-3-8(19(15,16)17)7-10(9)13-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,15,16,17)