2-[[6,8-bis(chloranyl)-2-ethyl-quinazolin-4-yl]sulfanylmethyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[[6,8-bis(chloranyl)-2-ethyl-quinazolin-4-yl]sulfanylmethyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(6,8-dichloro-2-ethyl-quinazolin-4-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[[(6,8-dichloro-2-ethyl-4-quinazolinyl)thio]methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(6,8-dichloro-2-ethylquinazolin-4-yl)sulfanylmethyl]-3-phenylquinazolin-4-one Traditional Name: 2-[[(6,8-dichloro-2-ethyl-quinazolin-4-yl)thio]methyl]-3-phenyl-quinazolin-4-one Formula: C25H18Cl2N4OS MolecularWeight: 493.40762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)Cl)Cl

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)Cl)Cl

InChI

InChI=1S/C25H18Cl2N4OS/c1-2-21-29-23-18(12-15(26)13-19(23)27)24(30-21)33-14-22-28-20-11-7-6-10-17(20)25(32)31(22)16-8-4-3-5-9-16/h3-13H,2,14H2,1H3