3-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one Openeye Name: 3-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one CAS Name: 3-[(3-chlorophenyl)methyl]-2-(methylthio)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(3-chlorobenzyl)-2-(methylthio)-4aH-quinazolin-3-ium-4-one Formula: C16H14ClN2OS+ MolecularWeight: 317.81316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C(=O)C2C=CC=CC2=N1)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CSC1=[N+](C(=O)C2C=CC=CC2=N1)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H14ClN2OS/c1-21-16-18-14-8-3-2-7-13(14)15(20)19(16)10-11-5-4-6-12(17)9-11/h2-9,13H,10H2,1H3/q+1