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

Systemtic Name: 4-butyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-2-3-8-15-11(13-14-12(15)19)9-4-6-10(7-5-9)16(17)18/h4-7H,2-3,8H2,1H3,(H,14,19)