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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]isoindoline-1,3-quinone Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC1N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C13H11N5O2S/c19-11-9-3-1-2-4-10(9)12(20)17(11)7-21-13-14-15-16-18(13)8-5-6-8/h1-4,8H,5-7H2