2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylthio]quinazolin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-2-12-25-20(26)16-10-6-7-11-17(16)22-21(25)28-14-19-23-18(24-27-19)13-15-8-4-3-5-9-15/h2-11H,1,12-14H2