5-(4-ethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-(4-morpholin-4-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCOCC3

InChI

InChI=1S/C15H20N4OS/c1-2-12-3-5-13(6-4-12)14-16-15(21)19(17-14)11-18-7-9-20-10-8-18/h3-6H,2,7-11H2,1H3,(H,16,17,21)/p+1