3-[(4-fluorophenyl)methyl]-5-(3-methyl-4-quinolin-8-ylsulfonyl-piperazin-1-yl)-1,2,4-thiadiazole

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-(3-methyl-4-quinolin-8-ylsulfonyl-piperazin-1-yl)-1,2,4-thiadiazole Openeye Name: 3-[(4-fluorophenyl)methyl]-5-[3-methyl-4-(8-quinolylsulfonyl)piperazin-1-yl]-1,2,4-thiadiazole CAS Name: 3-[(4-fluorophenyl)methyl]-5-[3-methyl-4-(8-quinolinylsulfonyl)-1-piperazinyl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-(3-methyl-4-quinolin-8-ylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-fluorobenzyl)-5-[3-methyl-4-(8-quinolylsulfonyl)piperazino]-1,2,4-thiadiazole Formula: C23H22FN5O2S2 MolecularWeight: 483.581483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=NC(=NS4)CC5=CC=C(C=C5)F

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=NC(=NS4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C23H22FN5O2S2/c1-16-15-28(23-26-21(27-32-23)14-17-7-9-19(24)10-8-17)12-13-29(16)33(30,31)20-6-2-4-18-5-3-11-25-22(18)20/h2-11,16H,12-15H2,1H3