2-(azocan-1-ium-1-ylmethyl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C17H24N4S/c1-14-7-9-15(10-8-14)16-18-17(22)21(19-16)13-20-11-5-3-2-4-6-12-20/h7-10H,2-6,11-13H2,1H3,(H,18,19,22)/p+1