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

Systemtic Name: 2-[4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-tert-butyltetrazol-5-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-tert-butyl-5-tetrazolyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-tert-butyltetrazol-5-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-tert-butyltetrazol-5-yl)thio]butyl]isoindoline-1,3-quinone Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H21N5O2S/c1-17(2,3)22-16(18-19-20-22)25-11-7-6-10-21-14(23)12-8-4-5-9-13(12)15(21)24/h4-5,8-9H,6-7,10-11H2,1-3H3