N-[[3-ethanoyl-5-(3-methylphenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide

Systemtic Name: N-[[3-ethanoyl-5-(3-methylphenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide Openeye Name: N-[[3-acetyl-5-(m-tolyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide CAS Name: N-[[3-acetyl-5-(3-methylphenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide IUPAC Name: N-[[3-acetyl-5-(3-methylphenyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide Traditional Name: N-[[3-acetyl-5-(m-tolyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C(S2)(CNS(=O)(=O)C)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C(S2)(CNS(=O)(=O)C)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C19H21N3O3S2/c1-14-8-7-9-16(12-14)18-21-22(15(2)23)19(26-18,13-20-27(3,24)25)17-10-5-4-6-11-17/h4-12,20H,13H2,1-3H3