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

Systemtic Name: 2-[3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propyl]isoindoline-1,3-quinone Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

InChI

InChI=1S/C23H18N4O2S2/c28-21-17-10-4-5-11-18(17)22(29)26(21)13-7-15-31-23-25-24-20(19-12-6-14-30-19)27(23)16-8-2-1-3-9-16/h1-6,8-12,14H,7,13,15H2