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

Systemtic Name: 3-(pyridin-3-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-pyridylmethyl)-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-pyridinylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(pyridin-3-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-pyridylmethyl)-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C21H15N5O2S2 MolecularWeight: 433.5061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)CC5=CN=CC=C5

InChI

InChI=1S/C21H15N5O2S2/c27-20-15-6-1-2-7-16(15)23-21(26(20)12-14-5-3-9-22-11-14)30-13-18-24-19(25-28-18)17-8-4-10-29-17/h1-11H,12-13H2