5-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Openeye Name: 5-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide CAS Name: 5-methyl-N-[2-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]ethyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Traditional Name: 5-methyl-N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Formula: C17H26N5O2S2+ MolecularWeight: 396.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCCC2=NN=C(N2C)SCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCCC2=NN=C(N2C)SCC[NH+]3CCOCC3

InChI

InChI=1S/C17H25N5O2S2/c1-13-3-4-14(26-13)16(23)18-6-5-15-19-20-17(21(15)2)25-12-9-22-7-10-24-11-8-22/h3-4H,5-12H2,1-2H3,(H,18,23)/p+1