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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16N4O3S/c1-20-16(13-5-9-15(24-2)10-6-13)18-19-17(20)25-11-12-3-7-14(8-4-12)21(22)23/h3-10H,11H2,1-2H3