4-ethyl-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C15H20N4S/c1-2-18-14(13-8-4-3-5-9-13)16-19(15(18)20)12-17-10-6-7-11-17/h3-5,8-9H,2,6-7,10-12H2,1H3/p+1