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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 3-[(4-fluorophenyl)methyl]-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole CAS Name: 3-[(4-fluorophenyl)methyl]-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-fluorobenzyl)-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Formula: C22H33FN4O2S2 MolecularWeight: 468.651423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33FN4O2S2/c1-2-3-4-5-6-7-17-31(28,29)27-14-8-13-26(15-16-27)22-24-21(25-30-22)18-19-9-11-20(23)12-10-19/h9-12H,2-8,13-18H2,1H3