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

Systemtic Name: 3-[(2-chloranyl-5-methoxy-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chloro-5-methoxy-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chloro-5-methoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chloro-5-methoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chloro-5-methoxy-benzyl)-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:

COC1=CC(=C(C=C1)Cl)CC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)CC2=NNC(=S)N2C3=CC=CC=C3

InChI

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