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

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H20N4O4S/c1-32-20-13-12-17(14-21(20)33-2)29-22(16-8-4-3-5-9-16)26-27-25(29)34-15-28-23(30)18-10-6-7-11-19(18)24(28)31/h3-14H,15H2,1-2H3