1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]butan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C18H24N4OS/c1-3-4-17(23)21-9-11-22(12-10-21)18-19-16(20-24-18)13-15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3