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

Systemtic Name: 5-[(2-nitrophenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-[(2-nitrophenyl)sulfanylmethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[[(2-nitrophenyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-nitrophenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-[[(2-nitrophenyl)thio]methyl]-1,2,4-triazole-3-thiolate Formula: C12H11N4O2S2- MolecularWeight: 307.37134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1[S-])CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1[S-])CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O2S2/c1-2-7-15-11(13-14-12(15)19)8-20-10-6-4-3-5-9(10)16(17)18/h2-6H,1,7-8H2,(H,14,19)/p-1