2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-4-pyridin-4-yl-5-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-4-pyridin-4-yl-5-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]-4-(4-pyridyl)-5-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyridin-4-yl-5-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)-4-pyridin-4-yl-5-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(2-keto-2-piperidino-ethyl)-4-(4-pyridyl)-5-(2-thienyl)-1,2,4-triazol-3-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=O)N(C(=N2)C3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=O)N(C(=N2)C3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C18H19N5O2S/c24-16(21-10-2-1-3-11-21)13-22-18(25)23(14-6-8-19-9-7-14)17(20-22)15-5-4-12-26-15/h4-9,12H,1-3,10-11,13H2