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

Systemtic Name: 3-[5-(3-cyanopropylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(3-cyanopropylsulfanyl)-4-isobutyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(3-cyanopropylthio)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(3-cyanopropylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(3-cyanopropylthio)-4-isobutyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H29N5O2S2 MolecularWeight: 435.60656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC(C)C)SCCCC#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC(C)C)SCCCC#N

InChI

InChI=1S/C20H29N5O2S2/c1-5-24(6-2)29(26,27)18-11-9-10-17(14-18)19-22-23-20(25(19)15-16(3)4)28-13-8-7-12-21/h9-11,14,16H,5-8,13,15H2,1-4H3