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

Systemtic Name: 5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-(3-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-(3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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