3-(4-azanyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-(4-azanyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide Openeye Name: 3-(4-amino-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-(phenacylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-(4-amino-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(phenacylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O3S2/c1-3-24(4-2)30(27,28)17-12-8-11-16(13-17)19-22-23-20(25(19)21)29-14-18(26)15-9-6-5-7-10-15/h5-13H,3-4,14,21H2,1-2H3