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

Systemtic Name: 7-chloranyl-3-prop-2-enyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-prop-2-enyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-prop-2-enyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]quinazolin-4-one Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

InChI

InChI=1S/C21H18ClN5O2S/c1-2-11-27-20(28)16-6-5-15(22)13-17(16)24-21(27)30-12-3-4-18-25-19(26-29-18)14-7-9-23-10-8-14/h2,5-10,13H,1,3-4,11-12H2