2-[(6-chloranyl-2-ethyl-quinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-2-ethyl-quinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-2-ethyl-quinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one CAS Name: 2-[[(6-chloro-2-ethyl-4-quinazolinyl)thio]methyl]-3-(3,4-dichlorophenyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-2-ethylquinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one Traditional Name: 2-[[(6-chloro-2-ethyl-quinazolin-4-yl)thio]methyl]-3-(3,4-dichlorophenyl)quinazolin-4-one Formula: C25H17Cl3N4OS MolecularWeight: 527.85268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H17Cl3N4OS/c1-2-22-29-21-10-7-14(26)11-17(21)24(31-22)34-13-23-30-20-6-4-3-5-16(20)25(33)32(23)15-8-9-18(27)19(28)12-15/h3-12H,2,13H2,1H3