2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide Formula: C14H19N7O2S2 MolecularWeight: 381.47636

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NNC(=N3)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NNC(=N3)N

InChI

InChI=1S/C14H19N7O2S2/c1-3-21(4-2)25(22,23)9-5-6-10-11(7-9)17-12(16-10)8-24-14-18-13(15)19-20-14/h5-7H,3-4,8H2,1-2H3,(H,16,17)(H3,15,18,19,20)