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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C23H19N5O4S/c1-30-18-7-5-17(6-8-18)28-22(15-3-2-10-24-12-15)26-27-23(28)33-13-21(29)25-16-4-9-19-20(11-16)32-14-31-19/h2-12H,13-14H2,1H3,(H,25,29)