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

Systemtic Name: N-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-morpholino-phenyl)-2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[3-chloro-4-(4-morpholinyl)phenyl]-2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-morpholino-phenyl)-2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23ClN6O2S MolecularWeight: 458.96432

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C4=CN=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C21H23ClN6O2S/c1-2-28-20(15-4-3-7-23-13-15)25-26-21(28)31-14-19(29)24-16-5-6-18(17(22)12-16)27-8-10-30-11-9-27/h3-7,12-13H,2,8-11,14H2,1H3,(H,24,29)