2-[(3-cyanophenyl)methylsulfanyl]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[(3-cyanophenyl)methylthio]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(3-cyanobenzyl)thio]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H19N3O3S2/c1-3-22(4-2)27(23,24)16-8-9-18-17(11-16)21-19(25-18)26-13-15-7-5-6-14(10-15)12-20/h5-11H,3-4,13H2,1-2H3