2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NO3)C(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NO3)C(C)C

InChI

InChI=1S/C16H21N5O3S2/c1-4-7-21-13-6-5-11(26(17,22)23)8-12(13)18-16(21)25-9-14-19-15(10(2)3)20-24-14/h5-6,8,10H,4,7,9H2,1-3H3,(H2,17,22,23)