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

Systemtic Name: 1-(3-phenylpropylsulfanyl)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-(3-phenylpropylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(3-phenylpropylthio)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(3-phenylpropylsulfanyl)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-(3-phenylpropylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-2-14-24-19(26)17-12-6-7-13-18(17)25-20(24)22-23-21(25)27-15-8-11-16-9-4-3-5-10-16/h2-7,9-10,12-13H,1,8,11,14-15H2