2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C17H24ClN4S+ MolecularWeight: 351.91726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCCCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCCCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H23ClN4S/c1-20-16(14-9-5-6-10-15(14)18)19-22(17(20)23)13-21-11-7-3-2-4-8-12-21/h5-6,9-10H,2-4,7-8,11-13H2,1H3/p+1