3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-isoxazolesulfonamide IUPAC Name: 3,5-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]isoxazole-4-sulfonamide Formula: C13H13N3O3S3 MolecularWeight: 355.45562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C13H13N3O3S3/c1-7-12(8(2)19-15-7)22(17,18)16-9-4-5-10-11(6-9)21-13(14-10)20-3/h4-6,16H,1-3H3