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

Systemtic Name: 3-[4-azanyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-(1-naphthalenylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(1-naphthylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H25N5O2S2 MolecularWeight: 467.6069

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H25N5O2S2/c1-3-27(4-2)32(29,30)20-13-8-11-18(15-20)22-25-26-23(28(22)24)31-16-19-12-7-10-17-9-5-6-14-21(17)19/h5-15H,3-4,16,24H2,1-2H3