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

Systemtic Name: 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate Formula: C18H13ClN5OS- MolecularWeight: 382.84672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3C4=CC=CC=C4Cl)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3C4=CC=CC=C4Cl)[S-]

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)/p-1