3-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(difluoromethoxy)-3-ethoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-(difluoromethoxy)-3-ethoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C19H19F2N3O2S MolecularWeight: 391.434866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NNC(=S)N2CCC3=CC=CC=C3)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NNC(=S)N2CCC3=CC=CC=C3)OC(F)F

InChI

InChI=1S/C19H19F2N3O2S/c1-2-25-16-12-14(8-9-15(16)26-18(20)21)17-22-23-19(27)24(17)11-10-13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3,(H,23,27)