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

Systemtic Name: 4-(2-methylprop-2-enyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-methylallyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methylprop-2-enyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methylprop-2-enyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-methylallyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C12H11N4O2S- MolecularWeight: 275.30634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S/c1-8(2)7-15-11(13-14-12(15)19)9-3-5-10(6-4-9)16(17)18/h3-6H,1,7H2,2H3,(H,14,19)/p-1