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

Systemtic Name: 3-[4-azanyl-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[(3-methyl-2-quinoxalinyl)methylthio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[(3-methylquinoxalin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C22H25N7O2S2 MolecularWeight: 483.6096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C22H25N7O2S2/c1-4-28(5-2)33(30,31)17-10-8-9-16(13-17)21-26-27-22(29(21)23)32-14-20-15(3)24-18-11-6-7-12-19(18)25-20/h6-13H,4-5,14,23H2,1-3H3