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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C

InChI

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