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

Systemtic Name: 1-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-(4-oxo-4-phenyl-butyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(4-oxo-4-phenylbutyl)thio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(4-oxo-4-phenylbutyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[(4-keto-4-phenyl-butyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-2-14-25-20(28)17-11-6-7-12-18(17)26-21(25)23-24-22(26)29-15-8-13-19(27)16-9-4-3-5-10-16/h2-7,9-12H,1,8,13-15H2