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

Systemtic Name: 1-[2-methyl-5-(3-oxidanylprop-1-ynyl)-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Openeye Name: 1-[5-(3-hydroxyprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone CAS Name: 1-[5-(3-hydroxyprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone IUPAC Name: 1-[5-(3-hydroxyprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Traditional Name: 1-[5-(3-hydroxyprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2S/c1-11(18)16-14(2,12-7-4-3-5-8-12)19-13(15-16)9-6-10-17/h3-5,7-8,17H,10H2,1-2H3