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

Systemtic Name: 5-(4-chlorophenyl)-4-ethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-ethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-ethyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-ethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-ethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H20ClN4S+ MolecularWeight: 323.8641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4S/c1-2-19-14(12-5-7-13(16)8-6-12)17-20(15(19)21)11-18-9-3-4-10-18/h5-8H,2-4,9-11H2,1H3/p+1