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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3)OC

InChI

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