2-(azocan-1-ium-1-ylmethyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCCCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H28N4OS/c1-3-22-18(16-9-11-17(24-2)12-10-16)20-23(19(22)25)15-21-13-7-5-4-6-8-14-21/h9-12H,3-8,13-15H2,1-2H3/p+1