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

Systemtic Name: 5-[(4-methoxyphenoxy)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-methoxyphenoxy)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-methoxyphenoxy)methyl]-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-methoxyphenoxy)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-methoxyphenoxy)methyl]-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-24-14-6-8-15(9-7-14)25-10-16-18-17(20-19-16)26-11-12-2-4-13(5-3-12)21(22)23/h2-9H,10-11H2,1H3,(H,18,19,20)