3-[(4-butoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-butoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-butoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-butoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-butoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-butoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C19H21N3O2S MolecularWeight: 355.45394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-2-3-13-23-16-9-11-17(12-10-16)24-14-18-20-21-19(25)22(18)15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,21,25)