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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27N6O2S+ MolecularWeight: 439.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H26N6O2S/c29-20(24-10-5-11-27-12-14-30-15-13-27)17-31-22-26-25-21(18-6-4-9-23-16-18)28(22)19-7-2-1-3-8-19/h1-4,6-9,16H,5,10-15,17H2,(H,24,29)/p+1