5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3,4-diethoxyphenyl)methyl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(3,4-diethoxybenzyl)-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate Formula: C21H24N3O2S- MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2[S-])CC3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2[S-])CC3=CC(=C(C=C3)OCC)OCC

InChI

InChI=1S/C21H25N3O2S/c1-4-16-9-7-8-10-17(16)24-20(22-23-21(24)27)14-15-11-12-18(25-5-2)19(13-15)26-6-3/h7-13H,4-6,14H2,1-3H3,(H,23,27)/p-1