4-[4-(2-methylpropyl)phenyl]-2H-phthalazine-1-thione

Systemtic Name: 4-[4-(2-methylpropyl)phenyl]-2H-phthalazine-1-thione Openeye Name: 4-(4-isobutylphenyl)-2H-phthalazine-1-thione CAS Name: 4-[4-(2-methylpropyl)phenyl]-2H-phthalazine-1-thione IUPAC Name: 4-[4-(2-methylpropyl)phenyl]-2H-phthalazine-1-thione Traditional Name: 4-(4-isobutylphenyl)-2H-phthalazine-1-thione Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NNC(=S)C3=CC=CC=C32

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NNC(=S)C3=CC=CC=C32

InChI

InChI=1S/C18H18N2S/c1-12(2)11-13-7-9-14(10-8-13)17-15-5-3-4-6-16(15)18(21)20-19-17/h3-10,12H,11H2,1-2H3,(H,20,21)