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

Systemtic Name: 4-prop-2-enyl-1-(2-pyridin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-[2-(4-pyridyl)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-prop-2-enyl-1-(2-pyridin-4-ylethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-prop-2-enyl-1-(2-pyridin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[2-(4-pyridyl)ethylthio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCC4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCC4=CC=NC=C4

InChI

InChI=1S/C19H17N5OS/c1-2-12-23-17(25)15-5-3-4-6-16(15)24-18(23)21-22-19(24)26-13-9-14-7-10-20-11-8-14/h2-8,10-11H,1,9,12-13H2