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

Systemtic Name: 3-[5-(cyanomethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-benzyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(cyanomethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-benzyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-benzyl-5-(cyanomethylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC#N

InChI

InChI=1S/C21H23N5O2S2/c1-3-25(4-2)30(27,28)19-12-8-11-18(15-19)20-23-24-21(29-14-13-22)26(20)16-17-9-6-5-7-10-17/h5-12,15H,3-4,14,16H2,1-2H3