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

Systemtic Name: 1-adamantyl-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]methanone Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H32N4OS/c1-17-2-4-18(5-3-17)13-22-26-24(31-27-22)29-8-6-28(7-9-29)23(30)25-14-19-10-20(15-25)12-21(11-19)16-25/h2-5,19-21H,6-16H2,1H3