6-bromanyl-2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carbothioic S-acid

Systemtic Name: 6-bromanyl-2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carbothioic S-acid Openeye Name: 6-bromo-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carbothioic S-acid CAS Name: 6-bromo-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarbothioic S-acid IUPAC Name: 6-bromo-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carbothioic S-acid Traditional Name: 6-bromo-1-keto-2-(4-mesylbenzyl)-4-phenyl-isoquinoline-3-carbothioic S-acid Formula: C24H18BrNO4S2 MolecularWeight: 528.43802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)S

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)S

InChI

InChI=1S/C24H18BrNO4S2/c1-32(29,30)18-10-7-15(8-11-18)14-26-22(24(28)31)21(16-5-3-2-4-6-16)20-13-17(25)9-12-19(20)23(26)27/h2-13H,14H2,1H3,(H,28,31)