4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-(phenylmethyl)-1,2,4-triazol-3-one

Systemtic Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-(phenylmethyl)-1,2,4-triazol-3-one Openeye Name: 2-benzyl-4-methyl-5-(1-methylsulfonyl-3-piperidyl)-1,2,4-triazol-3-one CAS Name: 4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-2-(phenylmethyl)-1,2,4-triazol-3-one IUPAC Name: 2-benzyl-4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one Traditional Name: 2-benzyl-5-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-18-15(14-9-6-10-19(12-14)24(2,22)23)17-20(16(18)21)11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3