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

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(2-diethylaminoethylsulfanyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(2-diethylaminoethylthio)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(2-diethylaminoethylthio)-3H-benzimidazole-5-sulfonic acid Formula: C13H19N3O3S2 MolecularWeight: 329.43826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H19N3O3S2/c1-3-16(4-2)7-8-20-13-14-11-6-5-10(21(17,18)19)9-12(11)15-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)(H,17,18,19)