4-azanyl-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-azanyl-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-amino-1-(2-methylallylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-amino-1-(2-methylprop-2-enylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-amino-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-amino-1-(2-methylallylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2N

Isomeric SMILES

CC(=C)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C13H13N5OS/c1-8(2)7-20-13-16-15-12-17(13)10-6-4-3-5-9(10)11(19)18(12)14/h3-6H,1,7,14H2,2H3