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

Systemtic Name: 3-[4-azanyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[(4-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(p-anisylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H25N5O3S2 MolecularWeight: 447.5742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S2/c1-4-24(5-2)30(26,27)18-8-6-7-16(13-18)19-22-23-20(25(19)21)29-14-15-9-11-17(28-3)12-10-15/h6-13H,4-5,14,21H2,1-3H3