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

Systemtic Name: N-[[5-(3,3-dimethylbut-1-ynyl)-3-ethanoyl-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide Openeye Name: N-[[3-acetyl-5-(3,3-dimethylbut-1-ynyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide CAS Name: N-[[3-acetyl-5-(3,3-dimethylbut-1-ynyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide IUPAC Name: N-[[3-acetyl-5-(3,3-dimethylbut-1-ynyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide Traditional Name: N-[[3-acetyl-5-(3,3-dimethylbut-1-ynyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]methanesulfonamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C#CC(C)(C)C)(CNS(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(SC(=N1)C#CC(C)(C)C)(CNS(=O)(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3S2/c1-14(22)21-18(13-19-26(5,23)24,15-9-7-6-8-10-15)25-16(20-21)11-12-17(2,3)4/h6-10,19H,13H2,1-5H3