5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-6-nitro-2-benzofuran-1,3-dione

Systemtic Name: 5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-6-nitro-2-benzofuran-1,3-dione Openeye Name: 5-(1-methyltetrazol-5-yl)sulfanyl-6-nitro-isobenzofuran-1,3-dione CAS Name: 5-[(1-methyl-5-tetrazolyl)thio]-6-nitroisobenzofuran-1,3-dione IUPAC Name: 5-(1-methyltetrazol-5-yl)sulfanyl-6-nitro-2-benzofuran-1,3-dione Traditional Name: 5-[(1-methyltetrazol-5-yl)thio]-6-nitro-phthalan-1,3-quinone Formula: C10H5N5O5S MolecularWeight: 307.2422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C3C(=C2)C(=O)OC3=O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C3C(=C2)C(=O)OC3=O)[N+](=O)[O-]

InChI

InChI=1S/C10H5N5O5S/c1-14-10(11-12-13-14)21-7-3-5-4(2-6(7)15(18)19)8(16)20-9(5)17/h2-3H,1H3