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

Systemtic Name: 1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[(2-keto-2-piperidino-ethyl)thio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2S/c28-19(25-13-7-2-8-14-25)15-30-22-24-23-21-26(16-9-3-1-4-10-16)20(29)17-11-5-6-12-18(17)27(21)22/h1,3-6,9-12H,2,7-8,13-15H2