3-[(4-methylphenyl)methyl]-5-(4-quinolin-8-ylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(4-quinolin-8-ylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole Openeye Name: 3-(p-tolylmethyl)-5-[4-(8-quinolylsulfonyl)piperazin-1-yl]-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-[4-(8-quinolinylsulfonyl)-1-piperazinyl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(4-quinolin-8-ylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-methylbenzyl)-5-[4-(8-quinolylsulfonyl)piperazino]-1,2,4-thiadiazole Formula: C23H23N5O2S2 MolecularWeight: 465.59102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C23H23N5O2S2/c1-17-7-9-18(10-8-17)16-21-25-23(31-26-21)27-12-14-28(15-13-27)32(29,30)20-6-2-4-19-5-3-11-24-22(19)20/h2-11H,12-16H2,1H3