2-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1-methylsulfonyl-3-piperidyl)-1,2,4-triazol-3-one CAS Name: 2-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Traditional Name: 2-(3,4-dichlorobenzyl)-5-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C16H20Cl2N4O3S MolecularWeight: 419.326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC(=C(C=C2)Cl)Cl)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC(=C(C=C2)Cl)Cl)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C16H20Cl2N4O3S/c1-20-15(12-4-3-7-21(10-12)26(2,24)25)19-22(16(20)23)9-11-5-6-13(17)14(18)8-11/h5-6,8,12H,3-4,7,9-10H2,1-2H3