1-(4-chlorophenyl)-6-methyl-3-[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]pyridazin-4-one

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-3-[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]pyridazin-4-one Openeye Name: 1-(4-chlorophenyl)-6-methyl-3-[5-thioxo-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]pyridazin-4-one CAS Name: 1-(4-chlorophenyl)-6-methyl-3-[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]-4-pyridazinone IUPAC Name: 1-(4-chlorophenyl)-6-methyl-3-[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]pyridazin-4-one Traditional Name: 1-(4-chlorophenyl)-6-methyl-3-[5-thioxo-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]pyridazin-4-one Formula: C20H13ClF3N5OS MolecularWeight: 463.86333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H13ClF3N5OS/c1-11-9-16(30)17(27-29(11)14-7-5-13(21)6-8-14)18-25-26-19(31)28(18)15-4-2-3-12(10-15)20(22,23)24/h2-10H,1H3,(H,26,31)