1-(3-bromophenyl)-2-phenyl-1H-isothiochromen-2-ium

Systemtic Name: 1-(3-bromophenyl)-2-phenyl-1H-isothiochromen-2-ium Openeye Name: 1-(3-bromophenyl)-2-phenyl-1H-isothiochromen-2-ium CAS Name: 1-(3-bromophenyl)-2-phenyl-1H-2-benzothiopyran-2-ium IUPAC Name: 1-(3-bromophenyl)-2-phenyl-1H-isothiochromen-2-ium Traditional Name: 1-(3-bromophenyl)-2-phenyl-1H-isothiochromen-2-ium Formula: C21H16BrS+ MolecularWeight: 380.32074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+]2C=CC3=CC=CC=C3C2C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)[S+]2C=CC3=CC=CC=C3C2C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H16BrS/c22-18-9-6-8-17(15-18)21-20-12-5-4-7-16(20)13-14-23(21)19-10-2-1-3-11-19/h1-15,21H/q+1