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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4)C

InChI

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