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

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O3S/c1-21-16(10-25-15-8-4-13(18)5-9-15)19-20-17(21)26-11-12-2-6-14(7-3-12)22(23)24/h2-9H,10-11H2,1H3