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

Systemtic Name: 2-[(4-methylphenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 5-(1-methylsulfonyl-3-piperidyl)-2-(p-tolylmethyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[(4-methylphenyl)methyl]-5-(1-methylsulfonyl-3-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[(4-methylphenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-3-piperidyl)-2-(4-methylbenzyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C20H24N4O3S2/c1-15-7-9-16(10-8-15)13-23-20(25)24(18-6-4-12-28-18)19(21-23)17-5-3-11-22(14-17)29(2,26)27/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3