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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-5-(1-methylsulfonyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-5-(1-methylsulfonyl-3-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-5-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C19H20ClFN4O3S2 MolecularWeight: 470.968503

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H20ClFN4O3S2/c1-30(27,28)23-9-3-5-13(11-23)18-22-24(12-14-15(20)6-2-7-16(14)21)19(26)25(18)17-8-4-10-29-17/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3