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

Systemtic Name: 2-[4-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-cyclopentyltetrazol-5-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-cyclopentyl-5-tetrazolyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-cyclopentyltetrazol-5-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-cyclopentyltetrazol-5-yl)thio]butyl]isoindoline-1,3-quinone Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H21N5O2S/c24-16-14-9-3-4-10-15(14)17(25)22(16)11-5-6-12-26-18-19-20-21-23(18)13-7-1-2-8-13/h3-4,9-10,13H,1-2,5-8,11-12H2