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

Systemtic Name: 3-[4-ethyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-1-(1-pyrrolidin-1-iumylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C12H22N5OS+ MolecularWeight: 284.40098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC2)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCCC2)CCC(=O)N

InChI

InChI=1S/C12H21N5OS/c1-2-16-11(6-5-10(13)18)14-17(12(16)19)9-15-7-3-4-8-15/h2-9H2,1H3,(H2,13,18)/p+1