6-[(2-fluorophenyl)methylsulfanyl]-12H-benzimidazolo[1,2-c]quinazolin-7-ium

Systemtic Name: 6-[(2-fluorophenyl)methylsulfanyl]-12H-benzimidazolo[1,2-c]quinazolin-7-ium Openeye Name: 6-[(2-fluorophenyl)methylsulfanyl]-12H-benzimidazolo[1,2-c]quinazolin-7-ium CAS Name: 6-[(2-fluorophenyl)methylthio]-12H-benzimidazolo[1,2-c]quinazolin-7-ium IUPAC Name: 6-[(2-fluorophenyl)methylsulfanyl]-12H-benzimidazolo[1,2-c]quinazolin-7-ium Traditional Name: 6-[(2-fluorobenzyl)thio]-12H-benzimidazolo[1,2-c]quinazolin-7-ium Formula: C21H15FN3S+ MolecularWeight: 360.427303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C4=[N+]2C5=CC=CC=C5N4)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C4=[N+]2C5=CC=CC=C5N4)F

InChI

InChI=1S/C21H14FN3S/c22-16-9-3-1-7-14(16)13-26-21-24-17-10-4-2-8-15(17)20-23-18-11-5-6-12-19(18)25(20)21/h1-12H,13H2/p+1