3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 3-[(2-keto-2-piperidino-ethyl)thio]-5-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC3=NC(=O)C=C(N32)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC3=NC(=O)C=C(N32)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O2S/c24-15-11-14(13-7-3-1-4-8-13)23-17(19-15)20-21-18(23)26-12-16(25)22-9-5-2-6-10-22/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,19,20,24)