1-(3-oxidanylidenebutan-2-ylsulfanyl)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(3-oxidanylidenebutan-2-ylsulfanyl)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-(1-methyl-2-oxo-propyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(3-oxobutan-2-ylthio)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(3-oxobutan-2-ylsulfanyl)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[(2-keto-1-methyl-propyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)C)SC1=NN=C2N1C3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C16H16N4O2S/c1-4-9-19-14(22)12-7-5-6-8-13(12)20-15(19)17-18-16(20)23-11(3)10(2)21/h4-8,11H,1,9H2,2-3H3