3-(pyridin-3-ylmethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(pyridin-3-ylmethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-pyridylmethyl)-2-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-pyridinylmethyl)-2-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(pyridin-3-ylmethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-pyridylmethyl)-2-[[5-(2-thienyl)isoxazol-3-yl]methylthio]quinazolin-4-one Formula: C22H16N4O2S2 MolecularWeight: 432.51804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NOC(=C3)C4=CC=CS4)CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NOC(=C3)C4=CC=CS4)CC5=CN=CC=C5

InChI

InChI=1S/C22H16N4O2S2/c27-21-17-6-1-2-7-18(17)24-22(26(21)13-15-5-3-9-23-12-15)30-14-16-11-19(28-25-16)20-8-4-10-29-20/h1-12H,13-14H2