2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-ethyl-5-(4-morpholin-4-iumylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C[NH+]3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O2S/c1-3-23-16(12-22-8-10-25-11-9-22)20-21-18(23)26-13-17(24)19-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,19,24)/p+1