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

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C27H23ClN4O2S MolecularWeight: 503.01512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NN=C(O4)C5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NN=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C27H23ClN4O2S/c1-3-17(2)18-9-12-21(13-10-18)32-26(33)22-14-11-20(28)15-23(22)29-27(32)35-16-24-30-31-25(34-24)19-7-5-4-6-8-19/h4-15,17H,3,16H2,1-2H3