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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=C(C=C(C=C2)Cl)Cl)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=C(C=C(C=C2)Cl)Cl)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H20Cl2N4O3S/c1-20-15(11-5-7-21(8-6-11)26(2,24)25)19-22(16(20)23)10-12-3-4-13(17)9-14(12)18/h3-4,9,11H,5-8,10H2,1-2H3