2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]isoindoline-1,3-quinone Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

InChI

InChI=1S/C25H21N5O3S/c1-33-19-9-7-18(8-10-19)30-22(17-11-13-26-14-12-17)27-28-25(30)34-16-4-15-29-23(31)20-5-2-3-6-21(20)24(29)32/h2-3,5-14H,4,15-16H2,1H3