6-chloranyl-3-(2-methylpropyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-3-(2-methylpropyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-4-quinazolinone IUPAC Name: 6-chloro-3-(2-methylpropyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]quinazolin-4-one Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

InChI

InChI=1S/C22H22ClN5O2S/c1-14(2)13-28-21(29)17-12-16(23)5-6-18(17)25-22(28)31-11-3-4-19-26-20(27-30-19)15-7-9-24-10-8-15/h5-10,12,14H,3-4,11,13H2,1-2H3