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

Systemtic Name: 2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C18H16N4O2S2/c1-2-21-15(14-8-5-10-25-14)19-20-18(21)26-11-9-22-16(23)12-6-3-4-7-13(12)17(22)24/h3-8,10H,2,9,11H2,1H3