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

Systemtic Name: 2-[4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-cyclopropyltetrazol-5-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-cyclopropyl-5-tetrazolyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-cyclopropyltetrazol-5-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-cyclopropyltetrazol-5-yl)thio]butyl]isoindoline-1,3-quinone Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC1N2C(=NN=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H17N5O2S/c22-14-12-5-1-2-6-13(12)15(23)20(14)9-3-4-10-24-16-17-18-19-21(16)11-7-8-11/h1-2,5-6,11H,3-4,7-10H2