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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N4O3S/c1-25-19(14-15-9-10-17(27-2)18(13-15)28-3)23-24-21(25)29-12-11-20(26)22-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)