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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-4-methyl-5-(1-methylsulfonyl-3-piperidyl)-1,2,4-triazol-3-one CAS Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Traditional Name: 2-[2-(4-chlorophenyl)-2-keto-ethyl]-5-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O4S/c1-20-16(13-4-3-9-21(10-13)27(2,25)26)19-22(17(20)24)11-15(23)12-5-7-14(18)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3