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

Systemtic Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(CN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(CN4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C22H20N4O3S/c27-16(12-25-20(28)17-8-4-5-9-18(17)21(25)29)13-30-22-24-23-19(14-10-11-14)26(22)15-6-2-1-3-7-15/h1-9,14,16,27H,10-13H2