1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-isoquinolin-3-one

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-isoquinolin-3-one Openeye Name: 1-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-2H-isoquinolin-3-one CAS Name: 1-[[2-(4-bromophenyl)-2-oxoethyl]thio]-2H-isoquinolin-3-one IUPAC Name: 1-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-2H-isoquinolin-3-one Traditional Name: 1-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-isoquinolone Formula: C17H12BrNO2S MolecularWeight: 374.25168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=O)NC(=C2C=C1)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=CC(=O)NC(=C2C=C1)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H12BrNO2S/c18-13-7-5-11(6-8-13)15(20)10-22-17-14-4-2-1-3-12(14)9-16(21)19-17/h1-9H,10H2,(H,19,21)