1-(2,3-dimethylphenyl)-4-methylsulfanyl-quinazolin-1-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-methylsulfanyl-quinazolin-1-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-methylsulfanyl-quinazolin-1-ium CAS Name: 1-(2,3-dimethylphenyl)-4-(methylthio)quinazolin-1-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-methylsulfanylquinazolin-1-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(methylthio)quinazolin-1-ium Formula: C17H17N2S+ MolecularWeight: 281.39528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+]2=CN=C(C3=CC=CC=C32)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+]2=CN=C(C3=CC=CC=C32)SC)C

InChI

InChI=1S/C17H17N2S/c1-12-7-6-10-15(13(12)2)19-11-18-17(20-3)14-8-4-5-9-16(14)19/h4-11H,1-3H3/q+1