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

Systemtic Name: 3-[4-azanyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-(2-morpholinoethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[2-(4-morpholinyl)ethylthio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(2-morpholinoethylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C18H28N6O3S2 MolecularWeight: 440.58332

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCCN3CCOCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCCN3CCOCC3

InChI

InChI=1S/C18H28N6O3S2/c1-3-23(4-2)29(25,26)16-7-5-6-15(14-16)17-20-21-18(24(17)19)28-13-10-22-8-11-27-12-9-22/h5-7,14H,3-4,8-13,19H2,1-2H3