3-[(Z)-[3-(4-tert-butylphenyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]methyl]isoindol-1-one

Systemtic Name: 3-[(Z)-[3-(4-tert-butylphenyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]methyl]isoindol-1-one Openeye Name: 3-[(Z)-[3-(4-tert-butylphenyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]methyl]isoindol-1-one CAS Name: 3-[(Z)-[3-(4-tert-butylphenyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]methyl]-1-isoindolone IUPAC Name: 3-[(Z)-[3-(4-tert-butylphenyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]methyl]isoindol-1-one Traditional Name: 3-[(Z)-[3-(4-tert-butylphenyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]methyl]isoindol-1-one Formula: C27H24N4O MolecularWeight: 420.50566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=CC3=NC(=O)C4=CC=CC=C43)N2C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN/C(=C\C3=NC(=O)C4=CC=CC=C43)/N2C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O/c1-27(2,3)19-15-13-18(14-16-19)25-30-29-24(31(25)20-9-5-4-6-10-20)17-23-21-11-7-8-12-22(21)26(32)28-23/h4-17,29H,1-3H3/b24-17+