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

Systemtic Name: 4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione Formula: C18H14ClN5OS MolecularWeight: 383.85466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC=C4Cl

InChI

InChI=1S/C18H14ClN5OS/c1-25-12-8-6-11(7-9-12)14-10-15(21-20-14)17-22-23-18(26)24(17)16-5-3-2-4-13(16)19/h2-10H,1H3,(H,20,21)(H,23,26)