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

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylthio]quinazolin-4-one Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CCCC1=NOC(=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C21H19ClN4O2S/c1-3-7-18-24-19(28-25-18)12-29-21-23-16-10-5-4-8-14(16)20(27)26(21)17-11-6-9-15(22)13(17)2/h4-6,8-11H,3,7,12H2,1-2H3