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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-5-(1-methylsulfonyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-5-(1-methylsulfonyl-4-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-5-(1-mesyl-4-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)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CC4=C(C=CC=C4Cl)F

InChI

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