5-[(4-chloranylphenoxy)methyl]-4-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-4-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-chlorophenoxy)methyl]-4-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-chlorophenoxy)methyl]-4-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-chlorophenoxy)methyl]-4-[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-chlorophenoxy)methyl]-4-(4-ethoxybenzyl)-1,2,4-triazole-3-thiolate Formula: C18H17ClN3O2S- MolecularWeight: 374.86448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-2-23-15-7-3-13(4-8-15)11-22-17(20-21-18(22)25)12-24-16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,21,25)/p-1