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

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-methoxyphenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-methoxyphenyl)methyl]-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-methoxyphenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-5-p-anisyl-1H-1,2,4-triazole Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-24-15-8-4-12(5-9-15)10-16-18-17(20-19-16)25-11-13-2-6-14(7-3-13)21(22)23/h2-9H,10-11H2,1H3,(H,18,19,20)