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

Systemtic Name: 2-[3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[3-(1-methylsulfonyl-4-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-[3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]-N-(4-methylthiazol-2-yl)acetamide Formula: C18H22N6O4S3 MolecularWeight: 482.60008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C18H22N6O4S3/c1-12-11-30-17(19-12)20-14(25)10-23-18(26)24(15-4-3-9-29-15)16(21-23)13-5-7-22(8-6-13)31(2,27)28/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,19,20,25)