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

Systemtic Name: 3-prop-2-enyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-allyl-2-[3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]quinazolin-4-one CAS Name: 3-prop-2-enyl-2-[3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]propylthio]-4-quinazolinone IUPAC Name: 3-prop-2-enyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-allyl-2-[3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]quinazolin-4-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCCC3=NC(=NO3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCCC3=NC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-2-12-26-20(27)16-8-3-4-9-17(16)23-21(26)29-13-6-10-18-24-19(25-28-18)15-7-5-11-22-14-15/h2-5,7-9,11,14H,1,6,10,12-13H2