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

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CN=CC=C3)OC

InChI

InChI=1S/C17H17N5O3S/c1-24-13-6-11(7-14(8-13)25-2)16-20-17(22-21-16)26-10-15(23)19-12-4-3-5-18-9-12/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)