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

Systemtic Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[2-methyl-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[2-methyl-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]-2-phenoxy-ethanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1C(=O)COC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C23H26N4O2S/c1-17-8-10-19(11-9-17)14-21-24-23(30-25-21)26-12-13-27(18(2)15-26)22(28)16-29-20-6-4-3-5-7-20/h3-11,18H,12-16H2,1-2H3