1-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(1-oxo-1-phenylpropan-2-yl)thio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(1-oxo-1-phenylpropan-2-yl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[(2-keto-1-methyl-2-phenyl-ethyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C21H18N4O2S/c1-3-13-24-19(27)16-11-7-8-12-17(16)25-20(24)22-23-21(25)28-14(2)18(26)15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3