6-bromanyl-3-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-2-[3-(2-hydroxyethylsulfanylmethyl)phenyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-2-[3-(2-hydroxyethylsulfanylmethyl)phenyl]quinazolin-4-one Openeye Name: 6-bromo-3-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]-2-[3-(2-hydroxyethylsulfanylmethyl)phenyl]quinazolin-4-one CAS Name: 6-bromo-3-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[3-[(2-hydroxyethylthio)methyl]phenyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[3-(2-hydroxyethylsulfanylmethyl)phenyl]quinazolin-4-one Traditional Name: 6-bromo-3-[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]-2-[3-[(2-hydroxyethylthio)methyl]phenyl]quinazolin-4-one Formula: C25H18BrClF3N3O2S MolecularWeight: 596.84653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCCO)C2=NC3=C(C=C(C=C3)Br)C(=O)N2N=CC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)CSCCO)C2=NC3=C(C=C(C=C3)Br)C(=O)N2/N=C/C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C25H18BrClF3N3O2S/c26-18-5-7-22-19(12-18)24(35)33(31-13-15-4-6-21(27)20(11-15)25(28,29)30)23(32-22)17-3-1-2-16(10-17)14-36-9-8-34/h1-7,10-13,34H,8-9,14H2/b31-13+