5-(1-methylsulfonylpiperidin-3-yl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 5-(1-methylsulfonylpiperidin-3-yl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 5-(1-methylsulfonyl-3-piperidyl)-2-(2-morpholino-2-oxo-ethyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 5-(1-methylsulfonyl-3-piperidinyl)-2-[2-(4-morpholinyl)-2-oxoethyl]-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 5-(1-methylsulfonylpiperidin-3-yl)-2-(2-morpholin-4-yl-2-oxoethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(2-keto-2-morpholino-ethyl)-5-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C18H25N5O5S2 MolecularWeight: 455.5516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)N4CCOCC4

InChI

InChI=1S/C18H25N5O5S2/c1-30(26,27)21-6-2-4-14(12-21)17-19-22(13-15(24)20-7-9-28-10-8-20)18(25)23(17)16-5-3-11-29-16/h3,5,11,14H,2,4,6-10,12-13H2,1H3