2-(azocan-1-ium-1-ylmethyl)-5-[(2-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-[(2-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C18H26ClN4OS+ MolecularWeight: 381.94324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCCCCC2)COC3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCCCCC2)COC3=CC=CC=C3Cl

InChI

InChI=1S/C18H25ClN4OS/c1-21-17(13-24-16-10-6-5-9-15(16)19)20-23(18(21)25)14-22-11-7-3-2-4-8-12-22/h5-6,9-10H,2-4,7-8,11-14H2,1H3/p+1