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

Systemtic Name: 2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C16H12N4O2S2 MolecularWeight: 356.42208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H12N4O2S2/c21-14-10-4-1-2-5-11(10)15(22)20(14)7-9-24-16-17-13(18-19-16)12-6-3-8-23-12/h1-6,8H,7,9H2,(H,17,18,19)