5-(4-octylsulfonyl-1,4-diazepan-1-yl)-3-(phenylmethyl)-1,2,4-thiadiazole

Systemtic Name: 5-(4-octylsulfonyl-1,4-diazepan-1-yl)-3-(phenylmethyl)-1,2,4-thiadiazole Openeye Name: 3-benzyl-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole CAS Name: 5-(4-octylsulfonyl-1,4-diazepan-1-yl)-3-(phenylmethyl)-1,2,4-thiadiazole IUPAC Name: 3-benzyl-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-benzyl-5-(4-octylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Formula: C22H34N4O2S2 MolecularWeight: 450.66096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2S2/c1-2-3-4-5-6-10-18-30(27,28)26-15-11-14-25(16-17-26)22-23-21(24-29-22)19-20-12-8-7-9-13-20/h7-9,12-13H,2-6,10-11,14-19H2,1H3