5-(4-chlorophenyl)-4-hexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-4-hexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-hexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-hexyl-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-hexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-hexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H28ClN4OS+ MolecularWeight: 395.96982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H27ClN4OS/c1-2-3-4-5-10-23-18(16-6-8-17(20)9-7-16)21-24(19(23)26)15-22-11-13-25-14-12-22/h6-9H,2-5,10-15H2,1H3/p+1