5-[[3-(4-fluoranylphenoxy)phenyl]methylsulfonyl]-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole

Systemtic Name: 5-[[3-(4-fluoranylphenoxy)phenyl]methylsulfonyl]-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole Openeye Name: 5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole CAS Name: 5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-3-(4-methyl-1-piperazinyl)-1,2,4-thiadiazole IUPAC Name: 5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole Traditional Name: 5-[3-(4-fluorophenoxy)benzyl]sulfonyl-3-(4-methylpiperazino)-1,2,4-thiadiazole Formula: C20H21FN4O3S2 MolecularWeight: 448.534143

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NSC(=N2)S(=O)(=O)CC3=CC(=CC=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

CN1CCN(CC1)C2=NSC(=N2)S(=O)(=O)CC3=CC(=CC=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4O3S2/c1-24-9-11-25(12-10-24)19-22-20(29-23-19)30(26,27)14-15-3-2-4-18(13-15)28-17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3