4-methyl-5-(5-nitro-1-benzothiophen-2-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-methyl-5-(5-nitro-1-benzothiophen-2-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-methyl-5-(5-nitrobenzothiophen-2-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-methyl-5-(5-nitro-1-benzothiophen-2-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-methyl-5-(5-nitro-1-benzothiophen-2-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-methyl-5-(5-nitrobenzothiophen-2-yl)-1,2,4-triazole-3-thiolate Formula: C11H7N4O2S2- MolecularWeight: 291.32888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1[S-])C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1[S-])C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O2S2/c1-14-10(12-13-11(14)18)9-5-6-4-7(15(16)17)2-3-8(6)19-9/h2-5H,1H3,(H,13,18)/p-1