4-cyclohexyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-cyclohexyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-cyclohexyl-1-(3-pyridylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-cyclohexyl-1-(3-pyridinylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-cyclohexyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-cyclohexyl-1-(3-pyridylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CN=CC=C5

InChI

InChI=1S/C21H21N5OS/c27-19-17-10-4-5-11-18(17)26-20(25(19)16-8-2-1-3-9-16)23-24-21(26)28-14-15-7-6-12-22-13-15/h4-7,10-13,16H,1-3,8-9,14H2