N,N-diethyl-3-[5-(2-oxidanylidenepropylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-(2-oxidanylidenepropylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-(5-acetonylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(2-oxopropylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-(2-oxopropylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: 3-[5-(acetonylthio)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C

InChI

InChI=1S/C21H24N4O3S2/c1-4-24(5-2)30(27,28)19-13-9-10-17(14-19)20-22-23-21(29-15-16(3)26)25(20)18-11-7-6-8-12-18/h6-14H,4-5,15H2,1-3H3