3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H14ClN3OS2 MolecularWeight: 363.88486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3OS2/c1-21-13-6-4-12(5-7-13)20-15(18-19-16(20)22)10-23-14-8-2-11(17)3-9-14/h2-9H,10H2,1H3,(H,19,22)