2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-5-(1-methylsulfonyl-4-piperidyl)-1,2,4-triazol-3-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-5-(1-methylsulfonyl-4-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-5-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C16H20ClFN4O3S MolecularWeight: 402.871403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=C(C=CC=C2Cl)F)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=C(C=CC=C2Cl)F)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H20ClFN4O3S/c1-20-15(11-6-8-21(9-7-11)26(2,24)25)19-22(16(20)23)10-12-13(17)4-3-5-14(12)18/h3-5,11H,6-10H2,1-2H3