2-[2-[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]ethyl]-1-methyl-benzimidazole

Systemtic Name: 2-[2-[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]ethyl]-1-methyl-benzimidazole Openeye Name: 2-[2-[(1-amino-2-sulfosulfanyl-ethylidene)amino]ethyl]-1-methyl-benzimidazole CAS Name: 2-[2-[[1-amino-2-(sulfothio)ethylidene]amino]ethyl]-1-methylbenzimidazole IUPAC Name: 2-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-1-methylbenzimidazole Traditional Name: 2-[2-[[1-amino-2-(sulfothio)ethylidene]amino]ethyl]-1-methyl-benzimidazole Formula: C12H16N4O3S2 MolecularWeight: 328.41044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CCN=C(CSS(=O)(=O)O)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CCN=C(CSS(=O)(=O)O)N

InChI

InChI=1S/C12H16N4O3S2/c1-16-10-5-3-2-4-9(10)15-12(16)6-7-14-11(13)8-20-21(17,18)19/h2-5H,6-8H2,1H3,(H2,13,14)(H,17,18,19)