7-chloranyl-3-(3-methylbutyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]quinazolin-4-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O2S/c1-14(2)10-11-27-21(28)17-9-8-16(23)12-18(17)24-22(27)30-13-19-25-26-20(29-19)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3