N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H20ClN5O3S MolecularWeight: 481.9546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)OC)Cl

InChI

InChI=1S/C23H20ClN5O3S/c1-31-19-12-18(20(32-2)11-17(19)24)26-21(30)14-33-23-28-27-22(15-7-6-10-25-13-15)29(23)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,26,30)