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

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-bromo-2-chloro-phenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromo-2-chlorophenyl)-3-[[(4-fluorophenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-bromo-2-chlorophenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-bromo-2-chloro-phenyl)-3-[[(4-fluorobenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C16H12BrClFN3S2 MolecularWeight: 444.771983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=NNC(=S)N2C3=C(C=C(C=C3)Br)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CSCC2=NNC(=S)N2C3=C(C=C(C=C3)Br)Cl)F

InChI

InChI=1S/C16H12BrClFN3S2/c17-11-3-6-14(13(18)7-11)22-15(20-21-16(22)23)9-24-8-10-1-4-12(19)5-2-10/h1-7H,8-9H2,(H,21,23)