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

Systemtic Name: 2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide CAS Name: 2-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide Formula: C17H25N5O4S2 MolecularWeight: 427.5415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1C(=O)N(C(=N1)C2CCCN(C2)S(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)CN1C(=O)N(C(=N1)C2CCCN(C2)S(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C17H25N5O4S2/c1-12(2)18-14(23)11-21-17(24)22(15-7-5-9-27-15)16(19-21)13-6-4-8-20(10-13)28(3,25)26/h5,7,9,12-13H,4,6,8,10-11H2,1-3H3,(H,18,23)