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

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-2-[(2-phenylthiazol-4-yl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(2-phenyl-4-thiazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(2-phenylthiazol-4-yl)methylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C28H24ClN3OS2 MolecularWeight: 518.09266

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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=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C28H24ClN3OS2/c1-3-18(2)19-9-12-23(13-10-19)32-27(33)24-14-11-21(29)15-25(24)31-28(32)35-17-22-16-34-26(30-22)20-7-5-4-6-8-20/h4-16,18H,3,17H2,1-2H3