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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,4-dimethoxyphenyl)-3-[[(4-fluorophenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,4-dimethoxyphenyl)-3-[[(4-fluorobenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C18H18FN3O2S2 MolecularWeight: 391.482823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C18H18FN3O2S2/c1-23-15-8-7-14(9-16(15)24-2)22-17(20-21-18(22)25)11-26-10-12-3-5-13(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,21,25)