2-(2-cyanoethylsulfanyl)-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-(2-cyanoethylsulfanyl)-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-(2-cyanoethylsulfanyl)-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-(2-cyanoethylthio)-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-(2-cyanoethylsulfanyl)-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-(2-cyanoethylthio)-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCC#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCC#N

InChI

InChI=1S/C12H13N3O3S2/c1-15(2)20(16,17)9-4-5-11-10(8-9)14-12(18-11)19-7-3-6-13/h4-5,8H,3,7H2,1-2H3