2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-5-(1-methylsulfonyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-5-(1-methylsulfonyl-4-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-[2-keto-2-(4-methylpiperidino)ethyl]-5-(1-mesyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C20H29N5O4S2 MolecularWeight: 467.60536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C20H29N5O4S2/c1-15-5-9-22(10-6-15)17(26)14-24-20(27)25(18-4-3-13-30-18)19(21-24)16-7-11-23(12-8-16)31(2,28)29/h3-4,13,15-16H,5-12,14H2,1-2H3