1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)N4C(CCCC4C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)N4C(CCCC4C)C

InChI

InChI=1S/C21H27N5O2S/c1-4-12-24-19(28)16-10-5-6-11-17(16)26-20(24)22-23-21(26)29-13-18(27)25-14(2)8-7-9-15(25)3/h5-6,10-11,14-15H,4,7-9,12-13H2,1-3H3