2-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NC(=NN2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NC(=NN2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N4O3S/c1-13-7-8-14(2)17(11-13)28-12-18-22-21(24-23-18)29-10-9-25-19(26)15-5-3-4-6-16(15)20(25)27/h3-8,11H,9-10,12H2,1-2H3,(H,22,23,24)