3-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-allyl-5-(1,3-benzothiazol-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(1,3-benzothiazol-2-ylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-allyl-5-(1,3-benzothiazol-2-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(N2CC=C)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N5O2S3/c1-4-14-28-22(17-10-9-11-18(15-17)33(29,30)27(5-2)6-3)25-26-23(28)31-16-21-24-19-12-7-8-13-20(19)32-21/h4,7-13,15H,1,5-6,14,16H2,2-3H3