3-butylsulfanyl-5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole Openeye Name: 3-butylsulfanyl-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole CAS Name: 3-(butylthio)-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-(butylthio)-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole Formula: C13H16ClN3OS MolecularWeight: 297.80364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCCCSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

InChI

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