4-prop-2-enyl-1-(quinolin-8-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-prop-2-enyl-1-(quinolin-8-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-(8-quinolylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-prop-2-enyl-1-(8-quinolinylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-prop-2-enyl-1-(quinolin-8-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-(8-quinolylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C22H17N5OS/c1-2-13-26-20(28)17-10-3-4-11-18(17)27-21(26)24-25-22(27)29-14-16-8-5-7-15-9-6-12-23-19(15)16/h2-12H,1,13-14H2