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

Systemtic Name: 4-(2-methylprop-2-enyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-methylallyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methylprop-2-enyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methylprop-2-enyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-methylallyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NNC1=S)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CN1C(=NNC1=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)