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

Systemtic Name: 3-[4-azanyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[(3-chlorophenyl)methylthio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[(3-chlorobenzyl)thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C19H22ClN5O2S2 MolecularWeight: 451.99328

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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(=CC=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN5O2S2/c1-3-24(4-2)29(26,27)17-10-6-8-15(12-17)18-22-23-19(25(18)21)28-13-14-7-5-9-16(20)11-14/h5-12H,3-4,13,21H2,1-2H3