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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(ON=C3C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(ON=C3C)C

InChI

InChI=1S/C16H20N4O3S2/c1-4-7-20-15-6-5-12(25(17,21)22)8-14(15)18-16(20)24-9-13-10(2)19-23-11(13)3/h5-6,8H,4,7,9H2,1-3H3,(H2,17,21,22)