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

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 5-(4-octylsulfonyl-1,4-diazepan-1-yl)-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-methylbenzyl)-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Formula: C23H36N4O2S2 MolecularWeight: 464.68754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C23H36N4O2S2/c1-3-4-5-6-7-8-18-31(28,29)27-15-9-14-26(16-17-27)23-24-22(25-30-23)19-21-12-10-20(2)11-13-21/h10-13H,3-9,14-19H2,1-2H3