3-[4-azanyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-azanyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N5O4S2/c1-3-25(4-2)32(27,28)17-7-5-6-16(13-17)20-23-24-21(26(20)22)31-14-15-8-9-18-19(12-15)30-11-10-29-18/h5-9,12-13H,3-4,10-11,14,22H2,1-2H3