2-[(4-methyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methylsulfanyl]aniline

Systemtic Name: 2-[(4-methyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methylsulfanyl]aniline Openeye Name: 2-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylsulfanyl]aniline CAS Name: 2-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylthio]aniline IUPAC Name: 2-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylsulfanyl]aniline Traditional Name: [2-[(3-keto-4-methyl-4H-quinazolin-3-ium-2-yl)methylthio]phenyl]amine Formula: C16H16N3OS+ MolecularWeight: 298.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N=C([N+]1=O)CSC3=CC=CC=C3N

Isomeric SMILES

CC1C2=CC=CC=C2N=C([N+]1=O)CSC3=CC=CC=C3N

InChI

InChI=1S/C16H16N3OS/c1-11-12-6-2-4-8-14(12)18-16(19(11)20)10-21-15-9-5-3-7-13(15)17/h2-9,11H,10,17H2,1H3/q+1