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

Systemtic Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]decan-1-one Openeye Name: 1-[2-methyl-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]decan-1-one CAS Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-decanone IUPAC Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]decan-1-one Traditional Name: 1-[2-methyl-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]decan-1-one Formula: C25H38N4OS MolecularWeight: 442.66042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1CCN(CC1C)C2=NC(=NS2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCC(=O)N1CCN(CC1C)C2=NC(=NS2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C25H38N4OS/c1-4-5-6-7-8-9-10-11-24(30)29-17-16-28(19-21(29)3)25-26-23(27-31-25)18-22-14-12-20(2)13-15-22/h12-15,21H,4-11,16-19H2,1-3H3