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

Systemtic Name: 4-methyl-1-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-methyl-1-(4-pyridylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-methyl-1-(pyridin-4-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-methyl-1-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-methyl-1-(4-pyridylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=NC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=NC=C4

InChI

InChI=1S/C16H13N5OS/c1-20-14(22)12-4-2-3-5-13(12)21-15(20)18-19-16(21)23-10-11-6-8-17-9-7-11/h2-9H,10H2,1H3