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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCCCC#N)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC(C)N1C(=NN=C1SCCCC#N)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C20H29N5O2S2/c1-5-16(4)25-19(22-23-20(25)28-14-9-8-13-21)17-11-10-12-18(15-17)29(26,27)24(6-2)7-3/h10-12,15-16H,5-9,14H2,1-4H3