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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenyl)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methyl]-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenyl)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrobenzyl)thio]-5-p-anisyl-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N4O3S/c1-21-17(11-13-5-9-16(25-2)10-6-13)19-20-18(21)26-12-14-3-7-15(8-4-14)22(23)24/h3-10H,11-12H2,1-2H3