7-chloranyl-3-(3,4-dichlorophenyl)-2-(phenylmethylsulfanyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 7-chloranyl-3-(3,4-dichlorophenyl)-2-(phenylmethylsulfanyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 2-benzylsulfanyl-7-chloro-3-(3,4-dichlorophenyl)-4aH-quinazolin-3-ium-4-one CAS Name: 7-chloro-3-(3,4-dichlorophenyl)-2-(phenylmethylthio)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-benzylsulfanyl-7-chloro-3-(3,4-dichlorophenyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-(benzylthio)-7-chloro-3-(3,4-dichlorophenyl)-4aH-quinazolin-3-ium-4-one Formula: C21H14Cl3N2OS+ MolecularWeight: 448.77266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=[N+](C(=O)C3C=CC(=CC3=N2)Cl)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=[N+](C(=O)C3C=CC(=CC3=N2)Cl)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl3N2OS/c22-14-6-8-16-19(10-14)25-21(28-12-13-4-2-1-3-5-13)26(20(16)27)15-7-9-17(23)18(24)11-15/h1-11,16H,12H2/q+1