4-(3-methoxypropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate

Systemtic Name: 4-(3-methoxypropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate Openeye Name: 4-(3-methoxypropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate CAS Name: 4-(3-methoxypropyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-olate IUPAC Name: 4-(3-methoxypropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate Traditional Name: 4-(3-methoxypropyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-olate Formula: C13H15N4O4S- MolecularWeight: 323.3476

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H16N4O4S/c1-21-8-2-7-16-12(18)14-15-13(16)22-9-10-3-5-11(6-4-10)17(19)20/h3-6H,2,7-9H2,1H3,(H,14,18)/p-1