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

Systemtic Name: 3-[4-azanyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-(2-oxolanylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C17H25N5O3S2 MolecularWeight: 411.5421

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3CCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3CCCO3

InChI

InChI=1S/C17H25N5O3S2/c1-3-21(4-2)27(23,24)15-9-5-7-13(11-15)16-19-20-17(22(16)18)26-12-14-8-6-10-25-14/h5,7,9,11,14H,3-4,6,8,10,12,18H2,1-2H3