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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N4O3S/c1-3-21-17(13-8-10-15(25-2)11-9-13)19-20-18(21)26-12-14-6-4-5-7-16(14)22(23)24/h4-11H,3,12H2,1-2H3