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

Systemtic Name: 2-[2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N5O2S/c1-16(2,3)14-18-19-15(21(14)17)24-9-8-20-12(22)10-6-4-5-7-11(10)13(20)23/h4-7H,8-9,17H2,1-3H3