5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C11H9N4O2S- MolecularWeight: 261.27976

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1[S-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1[S-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O2S/c1-2-7-14-10(12-13-11(14)18)8-3-5-9(6-4-8)15(16)17/h2-6H,1,7H2,(H,13,18)/p-1