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

Systemtic Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H18N4O2S/c1-16(2,3)14-17-15(19-18-14)23-9-8-20-12(21)10-6-4-5-7-11(10)13(20)22/h4-7H,8-9H2,1-3H3,(H,17,18,19)