2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide IUPAC Name: 2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C15H22N6O5S MolecularWeight: 398.43738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C15H22N6O5S/c1-10-8-12(18-26-10)16-13(22)9-21-15(23)19(2)14(17-21)11-4-6-20(7-5-11)27(3,24)25/h8,11H,4-7,9H2,1-3H3,(H,16,18,22)