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

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]-4-methyl-5-(1-methylsulfonyl-3-piperidyl)-1,2,4-triazol-3-one CAS Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Traditional Name: 2-[2-keto-2-(4-methoxyphenyl)ethyl]-5-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-20-17(14-5-4-10-21(11-14)28(3,25)26)19-22(18(20)24)12-16(23)13-6-8-15(27-2)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3