2-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 2-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole-3-thione Openeye Name: 2-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole-3-thione CAS Name: 2-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole-3-thione Traditional Name: 2-butyl-4-(4-nitrobenzyl)-1,2,4-triazole-3-thione Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=S)N(C=N1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=S)N(C=N1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-2-3-8-16-13(20)15(10-14-16)9-11-4-6-12(7-5-11)17(18)19/h4-7,10H,2-3,8-9H2,1H3