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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C18H16N4O2S2/c1-21-15(14-8-4-10-25-14)19-20-18(21)26-11-5-9-22-16(23)12-6-2-3-7-13(12)17(22)24/h2-4,6-8,10H,5,9,11H2,1H3