5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chlorobenzyl)-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C16H13ClN3OS- MolecularWeight: 330.81192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2[S-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2[S-])CC3=CC=C(C=C3)Cl

InChI

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