3-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-(2-morpholin-4-ium-4-ylethylthio)-1H-1,2,4-triazol-5-one Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H20N4O2S/c20-14-16-17-15(19(14)12-13-4-2-1-3-5-13)22-11-8-18-6-9-21-10-7-18/h1-5H,6-12H2,(H,16,20)/p+1