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

Systemtic Name: 1-[2-methyl-2-phenyl-5-(2-phenylethynyl)-1,3,4-thiadiazol-3-yl]ethanone Openeye Name: 1-[2-methyl-2-phenyl-5-(2-phenylethynyl)-1,3,4-thiadiazol-3-yl]ethanone CAS Name: 1-[2-methyl-2-phenyl-5-(2-phenylethynyl)-1,3,4-thiadiazol-3-yl]ethanone IUPAC Name: 1-[2-methyl-2-phenyl-5-(2-phenylethynyl)-1,3,4-thiadiazol-3-yl]ethanone Traditional Name: 1-[2-methyl-2-phenyl-5-(2-phenylethynyl)-1,3,4-thiadiazol-3-yl]ethanone Formula: C19H16N2OS MolecularWeight: 320.40814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C#CC2=CC=CC=C2)(C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(SC(=N1)C#CC2=CC=CC=C2)(C)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2OS/c1-15(22)21-19(2,17-11-7-4-8-12-17)23-18(20-21)14-13-16-9-5-3-6-10-16/h3-12H,1-2H3