3-[4-(phenylsulfonyl)phenyl]-2H-isoquinoline-1-thione

Systemtic Name: 3-[4-(phenylsulfonyl)phenyl]-2H-isoquinoline-1-thione Openeye Name: 3-[4-(benzenesulfonyl)phenyl]-2H-isoquinoline-1-thione CAS Name: 3-[4-(benzenesulfonyl)phenyl]-2H-isoquinoline-1-thione IUPAC Name: 3-[4-(benzenesulfonyl)phenyl]-2H-isoquinoline-1-thione Traditional Name: 3-(4-besylphenyl)-2H-isoquinoline-1-thione Formula: C21H15NO2S2 MolecularWeight: 377.4793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C(=S)N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C(=S)N3

InChI

InChI=1S/C21H15NO2S2/c23-26(24,17-7-2-1-3-8-17)18-12-10-15(11-13-18)20-14-16-6-4-5-9-19(16)21(25)22-20/h1-14H,(H,22,25)