3-methyl-2-(phenylmethylsulfanyl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 3-methyl-2-(phenylmethylsulfanyl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-benzylsulfanyl-3-methyl-1H-quinazolin-3-ium-4-one CAS Name: 3-methyl-2-(phenylmethylthio)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-benzylsulfanyl-3-methyl-1H-quinazolin-3-ium-4-one Traditional Name: 2-(benzylthio)-3-methyl-1H-quinazolin-3-ium-4-one Formula: C16H15N2OS+ MolecularWeight: 283.3681

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C2C1=O)SCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C2C1=O)SCC3=CC=CC=C3

InChI

InChI=1S/C16H14N2OS/c1-18-15(19)13-9-5-6-10-14(13)17-16(18)20-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3/p+1