3-[4-[4-(2-methylpropyl)phenyl]phthalazin-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-[4-(2-methylpropyl)phenyl]phthalazin-1-yl]sulfanylpropanoic acid Openeye Name: 3-[4-(4-isobutylphenyl)phthalazin-1-yl]sulfanylpropanoic acid CAS Name: 3-[[4-[4-(2-methylpropyl)phenyl]-1-phthalazinyl]thio]propanoic acid IUPAC Name: 3-[4-[4-(2-methylpropyl)phenyl]phthalazin-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-(4-isobutylphenyl)phthalazin-1-yl]thio]propionic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCC(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-14(2)13-15-7-9-16(10-8-15)20-17-5-3-4-6-18(17)21(23-22-20)26-12-11-19(24)25/h3-10,14H,11-13H2,1-2H3,(H,24,25)