2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[[(6-chloro-4-oxo-1H-quinazolin-2-yl)thio]methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-3-phenylquinazolin-4-one Traditional Name: 2-[[(6-chloro-4-keto-1H-quinazolin-2-yl)thio]methyl]-3-phenyl-quinazolin-4-one Formula: C23H15ClN4O2S MolecularWeight: 446.9088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C23H15ClN4O2S/c24-14-10-11-19-17(12-14)21(29)27-23(26-19)31-13-20-25-18-9-5-4-8-16(18)22(30)28(20)15-6-2-1-3-7-15/h1-12H,13H2,(H,26,27,29)