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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

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