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

Systemtic Name: 5-(1-methylsulfonylpiperidin-3-yl)-2-(phenylmethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-benzyl-5-(1-methylsulfonyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 5-(1-methylsulfonyl-3-piperidinyl)-2-(phenylmethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-benzyl-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-benzyl-5-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N4O3S2/c1-28(25,26)21-11-5-9-16(14-21)18-20-22(13-15-7-3-2-4-8-15)19(24)23(18)17-10-6-12-27-17/h2-4,6-8,10,12,16H,5,9,11,13-14H2,1H3