2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H18N4O2S/c1-16-8-7-9-17(14-16)21-25-26-24(28(21)18-10-3-2-4-11-18)31-15-27-22(29)19-12-5-6-13-20(19)23(27)30/h2-14H,15H2,1H3