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

Systemtic Name: 3-[(5-chloranyl-2-ethoxy-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Openeye Name: 3-[(5-chloro-2-ethoxy-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine CAS Name: 3-[(5-chloro-2-ethoxyphenyl)methylthio]-5-ethyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-chloro-2-ethoxyphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Traditional Name: [3-[(5-chloro-2-ethoxy-benzyl)thio]-5-ethyl-1,2,4-triazol-4-yl]amine Formula: C13H17ClN4OS MolecularWeight: 312.81828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=C(C=CC(=C2)Cl)OCC

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=C(C=CC(=C2)Cl)OCC

InChI

InChI=1S/C13H17ClN4OS/c1-3-12-16-17-13(18(12)15)20-8-9-7-10(14)5-6-11(9)19-4-2/h5-7H,3-4,8,15H2,1-2H3