3-[4-azanyl-5-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-azanyl-5-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-amino-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[(5-acetyl-2-methoxyphenyl)methylthio]-4-amino-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-amino-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-[(5-acetyl-2-methoxy-benzyl)thio]-4-amino-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C22H27N5O4S2/c1-5-26(6-2)33(29,30)19-9-7-8-17(13-19)21-24-25-22(27(21)23)32-14-18-12-16(15(3)28)10-11-20(18)31-4/h7-13H,5-6,14,23H2,1-4H3