4-[2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium

Systemtic Name: 4-[2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium Openeye Name: 4-[2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholin-4-ium CAS Name: 4-[2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium Traditional Name: 4-[2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]morpholin-4-ium Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5OS/c1-2-5-18(6-3-1)8-10-26-20(19-7-4-9-22-17-19)23-24-21(26)28-16-13-25-11-14-27-15-12-25/h1-7,9,17H,8,10-16H2/p+1