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

Systemtic Name: 2-[(3-methoxyphenyl)methyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[(3-methoxyphenyl)methyl]-5-(1-methylsulfonyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[(3-methoxyphenyl)methyl]-5-(1-methylsulfonyl-4-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[(3-methoxyphenyl)methyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-m-anisyl-5-(1-mesyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C20H24N4O4S2/c1-28-17-6-3-5-15(13-17)14-23-20(25)24(18-7-4-12-29-18)19(21-23)16-8-10-22(11-9-16)30(2,26)27/h3-7,12-13,16H,8-11,14H2,1-2H3