3-[(4-chloranylphenoxy)methyl]-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-2-26-21(14-27-19-12-10-18(23)11-13-19)24-25-22(26)28-15-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,2,14-15H2,1H3