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

Systemtic Name: 4-methyl-2-[(4-methylphenyl)methyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one Openeye Name: 4-methyl-5-(1-methylsulfonyl-4-piperidyl)-2-(p-tolylmethyl)-1,2,4-triazol-3-one CAS Name: 4-methyl-2-[(4-methylphenyl)methyl]-5-(1-methylsulfonyl-4-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 4-methyl-2-[(4-methylphenyl)methyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-4-piperidyl)-4-methyl-2-(4-methylbenzyl)-1,2,4-triazol-3-one Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-13-4-6-14(7-5-13)12-21-17(22)19(2)16(18-21)15-8-10-20(11-9-15)25(3,23)24/h4-7,15H,8-12H2,1-3H3