3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-4-o-phenetyl-1H-1,2,4-triazole-5-thione Formula: C18H17ClFN3OS2 MolecularWeight: 409.928483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H17ClFN3OS2/c1-2-24-16-6-4-3-5-15(16)23-17(21-22-18(23)25)11-26-10-12-7-8-13(20)9-14(12)19/h3-9H,2,10-11H2,1H3,(H,22,25)