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

Systemtic Name: 3-[(2-chloranylphenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(2-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(2-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3Cl

InChI

InChI=1S/C18H17ClN4O3S/c1-2-22-17(11-26-16-6-4-3-5-15(16)19)20-21-18(22)27-12-13-7-9-14(10-8-13)23(24)25/h3-10H,2,11-12H2,1H3