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

Systemtic Name: 3-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-butoxy-5-chloro-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-butoxy-5-chlorophenyl)methylthio]-5-ethyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-butoxy-5-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-butoxy-5-chloro-benzyl)thio]-5-ethyl-1,2,4-triazol-4-yl]amine Formula: C15H21ClN4OS MolecularWeight: 340.87144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2N)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2N)CC

InChI

InChI=1S/C15H21ClN4OS/c1-3-5-8-21-13-7-6-12(16)9-11(13)10-22-15-19-18-14(4-2)20(15)17/h6-7,9H,3-5,8,10,17H2,1-2H3