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

Systemtic Name: 3-[5-(cyanomethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(cyanomethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(cyanomethylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(cyanomethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(cyanomethylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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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)OC)SCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S2/c1-4-25(5-2)31(27,28)19-11-6-8-16(14-19)20-23-24-21(30-13-12-22)26(20)17-9-7-10-18(15-17)29-3/h6-11,14-15H,4-5,13H2,1-3H3