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

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-4-methyl-5-(1-methylsulfonyl-4-piperidyl)-1,2,4-triazol-3-one CAS Name: 2-[(2,5-dimethylphenyl)methyl]-4-methyl-5-(1-methylsulfonyl-4-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one Traditional Name: 2-(2,5-dimethylbenzyl)-5-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C18H26N4O3S/c1-13-5-6-14(2)16(11-13)12-22-18(23)20(3)17(19-22)15-7-9-21(10-8-15)26(4,24)25/h5-6,11,15H,7-10,12H2,1-4H3