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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]-N-(4-methylbenzyl)acetamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S2/c1-16-7-9-17(10-8-16)13-23-19(28)15-26-22(29)27(20-6-4-12-32-20)21(24-26)18-5-3-11-25(14-18)33(2,30)31/h4,6-10,12,18H,3,5,11,13-15H2,1-2H3,(H,23,28)