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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-5-(4-octylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole Openeye Name: 3-[(4-chlorophenyl)methyl]-5-(4-octylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole CAS Name: 3-[(4-chlorophenyl)methyl]-5-(4-octylsulfonyl-1-piperazinyl)-1,2,4-thiadiazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-5-(4-octylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-chlorobenzyl)-5-(4-octylsulfonylpiperazino)-1,2,4-thiadiazole Formula: C21H31ClN4O2S2 MolecularWeight: 471.07944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O2S2/c1-2-3-4-5-6-7-16-30(27,28)26-14-12-25(13-15-26)21-23-20(24-29-21)17-18-8-10-19(22)11-9-18/h8-11H,2-7,12-17H2,1H3