1-[[5-chloranyl-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[[5-chloranyl-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-[[5-chloro-2-(3-pyridylmethoxy)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[5-chloro-2-(3-pyridinylmethoxy)phenyl]methylthio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[[5-chloro-2-(3-pyridylmethoxy)benzyl]thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C25H20ClN5O2S MolecularWeight: 489.9766

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=C(C=CC(=C4)Cl)OCC5=CN=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC4=C(C=CC(=C4)Cl)OCC5=CN=CC=C5

InChI

InChI=1S/C25H20ClN5O2S/c1-2-12-30-23(32)20-7-3-4-8-21(20)31-24(30)28-29-25(31)34-16-18-13-19(26)9-10-22(18)33-15-17-6-5-11-27-14-17/h2-11,13-14H,1,12,15-16H2