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

Systemtic Name: N,N-diethyl-2-[(1-propylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-2-[(1-propylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-[[(1-propyl-2-imidazolyl)thio]methyl]-3H-benzimidazole-5-sulfonamide IUPAC Name: N,N-diethyl-2-[(1-propylimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[[(1-propylimidazol-2-yl)thio]methyl]-3H-benzimidazole-5-sulfonamide Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCCN1C=CN=C1SCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C18H25N5O2S2/c1-4-10-22-11-9-19-18(22)26-13-17-20-15-8-7-14(12-16(15)21-17)27(24,25)23(5-2)6-3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,20,21)