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

Systemtic Name: 1-[5-(3-cyclopentylprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Openeye Name: 1-[5-(3-cyclopentylprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone CAS Name: 1-[5-(3-cyclopentylprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone IUPAC Name: 1-[5-(3-cyclopentylprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Traditional Name: 1-[5-(3-cyclopentylprop-1-ynyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Formula: C19H22N2OS MolecularWeight: 326.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C#CCC2CCCC2)(C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(SC(=N1)C#CCC2CCCC2)(C)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2OS/c1-15(22)21-19(2,17-12-4-3-5-13-17)23-18(20-21)14-8-11-16-9-6-7-10-16/h3-5,12-13,16H,6-7,9-11H2,1-2H3