5-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-butoxy-3-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-butoxy-3-nitro-benzyl)thio]-1H-1,2,4-triazole Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3S/c1-2-3-6-20-12-5-4-10(7-11(12)17(18)19)8-21-13-14-9-15-16-13/h4-5,7,9H,2-3,6,8H2,1H3,(H,14,15,16)