3-(3-chloranyl-4-fluoranyl-phenyl)-2-[[4-[(E)-2-(2-chloranyl-6-fluoranyl-phenyl)ethenyl]phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[[4-[(E)-2-(2-chloranyl-6-fluoranyl-phenyl)ethenyl]phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[[4-[(E)-2-(2-chloro-6-fluoro-phenyl)vinyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[[4-[(E)-2-(2-chloro-6-fluoro-phenyl)vinyl]benzyl]thio]quinazolin-4-one Formula: C29H18Cl2F2N2OS MolecularWeight: 551.433826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=CC4=C(C=CC=C4Cl)F)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)/C=C/C4=C(C=CC=C4Cl)F)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C29H18Cl2F2N2OS/c30-23-5-3-6-25(32)21(23)14-12-18-8-10-19(11-9-18)17-37-29-34-27-7-2-1-4-22(27)28(36)35(29)20-13-15-26(33)24(31)16-20/h1-16H,17H2/b14-12+