4-butyl-1H-1,2,4-triazole-5-thione; 1-ethoxy-3-nitro-benzene

Systemtic Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-ethoxy-3-nitro-benzene Openeye Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-ethoxy-3-nitro-benzene CAS Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-ethoxy-3-nitrobenzene IUPAC Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-ethoxy-3-nitrobenzene Traditional Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-ethoxy-3-nitro-benzene Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NNC1=S.CCOC1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C=NNC1=S.CCOC1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H9NO3.C6H11N3S/c1-2-12-8-5-3-4-7(6-8)9(10)11;1-2-3-4-9-5-7-8-6(9)10/h3-6H,2H2,1H3;5H,2-4H2,1H3,(H,8,10)