3-[(5-chloranyl-2-ethoxy-phenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2-ethoxy-phenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-ethoxy-phenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2-ethoxyphenyl)methylthio]-5-ethyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-ethoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-ethoxy-benzyl)thio]-5-ethyl-1H-1,2,4-triazole Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=C(C=CC(=C2)Cl)OCC

Isomeric SMILES

CCC1=NC(=NN1)SCC2=C(C=CC(=C2)Cl)OCC

InChI

InChI=1S/C13H16ClN3OS/c1-3-12-15-13(17-16-12)19-8-9-7-10(14)5-6-11(9)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,16,17)