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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3

InChI

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