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

Systemtic Name: 3-[(3-ethyl-5-methyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3-ethyl-5-methyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(3-ethyl-5-methyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)OCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC(=C1)C)OCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-3-14-9-13(2)10-16(11-14)22-12-17-19-20-18(23)21(17)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3,(H,20,23)