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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-veratryl-acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O3S/c1-4-11-26-20(16-7-9-22-10-8-16)24-25-21(26)30-14-19(27)23-13-15-5-6-17(28-2)18(12-15)29-3/h5-10,12H,4,11,13-14H2,1-3H3,(H,23,27)