2-(azocan-1-ium-1-ylmethyl)-5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-3-thione Formula: C17H24ClN4OS+ MolecularWeight: 367.91666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)C[NH+]3CCCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C17H23ClN4OS/c1-23-15-8-7-13(18)11-14(15)16-19-17(24)22(20-16)12-21-9-5-3-2-4-6-10-21/h7-8,11H,2-6,9-10,12H2,1H3,(H,19,20,24)/p+1