N-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide CAS Name: N-methyl-N-[4-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]phenyl]methanesulfonamide IUPAC Name: N-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide Traditional Name: N-methyl-N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]methanesulfonamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N4O3S2/c1-22(27(2,24)25)15-10-8-13(9-11-15)16(23)12-26-18-19-17(20-21-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,20,21)