2-(azocan-1-ium-1-ylmethyl)-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN(C2=S)C[NH+]3CCCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN(C2=S)C[NH+]3CCCCCCC3

InChI

InChI=1S/C17H24N4OS/c1-22-16-9-7-8-15(12-16)20-13-18-21(17(20)23)14-19-10-5-3-2-4-6-11-19/h7-9,12-13H,2-6,10-11,14H2,1H3/p+1