N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethoxybenzyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-4-25-20(15-8-6-5-7-9-15)23-24-21(25)29-14-19(26)22-13-16-12-17(27-2)10-11-18(16)28-3/h5-12H,4,13-14H2,1-3H3,(H,22,26)