3-(4-methoxyphenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-4-methyl-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N4O4S/c1-21-17(13-6-8-15(25-2)9-7-13)19-20-18(21)27-11-10-26-16-5-3-4-14(12-16)22(23)24/h3-9,12H,10-11H2,1-2H3