N-[4-[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-ethyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-ethyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Formula: C17H26N5O3S2+ MolecularWeight: 412.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCOCC2)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCOCC2)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C17H25N5O3S2/c1-3-22-16(14-4-6-15(7-5-14)20-27(2,23)24)18-19-17(22)26-13-10-21-8-11-25-12-9-21/h4-7,20H,3,8-13H2,1-2H3/p+1