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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-N-veratryl-acetamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)OC

InChI

InChI=1S/C18H19N5O3S/c1-25-14-4-3-12(9-15(14)26-2)10-20-16(24)11-27-18-21-17(22-23-18)13-5-7-19-8-6-13/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,22,23)