5-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-butyl-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-butyl-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC(=NN1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-2-3-4-12-14-13(16-15-12)20-9-10-5-7-11(8-6-10)17(18)19/h5-8H,2-4,9H2,1H3,(H,14,15,16)