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

Systemtic Name: 1-(oxan-2-ylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-phenyl-1-(tetrahydropyran-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(2-oxanylmethylthio)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(oxan-2-ylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-phenyl-1-(tetrahydropyran-2-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C21H20N4O2S/c26-19-17-11-4-5-12-18(17)25-20(24(19)15-8-2-1-3-9-15)22-23-21(25)28-14-16-10-6-7-13-27-16/h1-5,8-9,11-12,16H,6-7,10,13-14H2