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

Systemtic Name: 3-[(2-chloranyl-5-methyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chloro-5-methyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-chloro-5-methyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H14ClN3OS MolecularWeight: 331.81986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3OS/c1-11-7-8-13(17)14(9-11)21-10-15-18-19-16(22)20(15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)