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

Systemtic Name: 1-[5-(3,3-dimethylbut-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Openeye Name: 1-[5-(3,3-dimethylbut-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone CAS Name: 1-[5-(3,3-dimethylbut-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone IUPAC Name: 1-[5-(3,3-dimethylbut-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Traditional Name: 1-[5-(3,3-dimethylbut-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2OS/c1-13(20)19-17(5,14-9-7-6-8-10-14)21-15(18-19)11-12-16(2,3)4/h6-10H,1-5H3