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

Systemtic Name: 3-[4-azanyl-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-(2-oxanylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C18H27N5O3S2 MolecularWeight: 425.56868

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3CCCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3CCCCO3

InChI

InChI=1S/C18H27N5O3S2/c1-3-22(4-2)28(24,25)16-10-7-8-14(12-16)17-20-21-18(23(17)19)27-13-15-9-5-6-11-26-15/h7-8,10,12,15H,3-6,9,11,13,19H2,1-2H3