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

Systemtic Name: 2-[3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(CN3C(=O)C4=CC=CC=C4C3=O)O)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(CN3C(=O)C4=CC=CC=C4C3=O)O)C5=CC=CS5

InChI

InChI=1S/C20H18N4O3S2/c25-13(10-23-18(26)14-4-1-2-5-15(14)19(23)27)11-29-20-22-21-17(16-6-3-9-28-16)24(20)12-7-8-12/h1-6,9,12-13,25H,7-8,10-11H2