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

Systemtic Name: N,N-diethyl-3-[4-(phenylmethyl)-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-[4-benzyl-5-(thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(phenylmethyl)-5-(4-thiazolylmethylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 3-[4-benzyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-benzyl-5-(thiazol-4-ylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H25N5O2S3 MolecularWeight: 499.6719

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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)SCC4=CSC=N4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CSC=N4

InChI

InChI=1S/C23H25N5O2S3/c1-3-27(4-2)33(29,30)21-12-8-11-19(13-21)22-25-26-23(32-16-20-15-31-17-24-20)28(22)14-18-9-6-5-7-10-18/h5-13,15,17H,3-4,14,16H2,1-2H3