3-[4-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-(4-morpholin-4-iumylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-1-(morpholin-4-ium-4-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C11H20N5O2S+ MolecularWeight: 286.3738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCOCC2)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCOCC2)CCC(=O)N

InChI

InChI=1S/C11H19N5O2S/c1-14-10(3-2-9(12)17)13-16(11(14)19)8-15-4-6-18-7-5-15/h2-8H2,1H3,(H2,12,17)/p+1