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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Openeye Name: 2-[(4-chlorophenyl)methyl]-4-methyl-5-(1-methylsulfonyl-3-piperidyl)-1,2,4-triazol-3-one CAS Name: 2-[(4-chlorophenyl)methyl]-4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[(4-chlorophenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Traditional Name: 2-(4-chlorobenzyl)-5-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O3S/c1-19-15(13-4-3-9-20(11-13)25(2,23)24)18-21(16(19)22)10-12-5-7-14(17)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3