3-[(4-methylphenyl)methyl]-5-(4-octylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(4-octylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole Openeye Name: 5-(4-octylsulfonylpiperazin-1-yl)-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-(4-octylsulfonyl-1-piperazinyl)-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(4-octylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-methylbenzyl)-5-(4-octylsulfonylpiperazino)-1,2,4-thiadiazole Formula: C22H34N4O2S2 MolecularWeight: 450.66096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2S2/c1-3-4-5-6-7-8-17-30(27,28)26-15-13-25(14-16-26)22-23-21(24-29-22)18-20-11-9-19(2)10-12-20/h9-12H,3-8,13-18H2,1-2H3