4-methyl-5-(phenoxymethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-(phenoxymethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(phenoxymethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(phenoxymethyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(phenoxymethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(phenoxymethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCC2)COC3=CC=CC=C3

InChI

InChI=1S/C15H20N4OS/c1-17-14(11-20-13-7-3-2-4-8-13)16-19(15(17)21)12-18-9-5-6-10-18/h2-4,7-8H,5-6,9-12H2,1H3/p+1