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

Systemtic Name: 2-[2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C23H15Cl2N5O2S MolecularWeight: 496.3685

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CC=NC=C5

InChI

InChI=1S/C23H15Cl2N5O2S/c24-18-6-5-15(13-19(18)25)30-20(14-7-9-26-10-8-14)27-28-23(30)33-12-11-29-21(31)16-3-1-2-4-17(16)22(29)32/h1-10,13H,11-12H2