2-[4-(4-bromophenyl)phthalazin-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(4-bromophenyl)phthalazin-1-yl]sulfanylethanoic acid Openeye Name: 2-[4-(4-bromophenyl)phthalazin-1-yl]sulfanylacetic acid CAS Name: 2-[[4-(4-bromophenyl)-1-phthalazinyl]thio]acetic acid IUPAC Name: 2-[4-(4-bromophenyl)phthalazin-1-yl]sulfanylacetic acid Traditional Name: 2-[[4-(4-bromophenyl)phthalazin-1-yl]thio]acetic acid Formula: C16H11BrN2O2S MolecularWeight: 375.23974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN2O2S/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)16(19-18-15)22-9-14(20)21/h1-8H,9H2,(H,20,21)