N,N-diethyl-3-[5-(2-methoxyethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-(2-methoxyethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-(2-methoxyethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(2-methoxyethylthio)-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-(2-methoxyethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(2-methoxyethylthio)-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCCOC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCCOC

InChI

InChI=1S/C23H30N4O3S2/c1-4-26(5-2)32(28,29)21-13-9-12-20(18-21)22-24-25-23(31-17-16-30-3)27(22)15-14-19-10-7-6-8-11-19/h6-13,18H,4-5,14-17H2,1-3H3