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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=C(C(=CC=C3)OC)OC

InChI

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