4-(3-methoxyphenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-methoxyphenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-methoxyphenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methoxyphenyl)-3-(4-thiomorpholin-4-iumylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methoxyphenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-methoxyphenyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Formula: C14H19N4OS2+ MolecularWeight: 323.45686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NNC2=S)C[NH+]3CCSCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NNC2=S)C[NH+]3CCSCC3

InChI

InChI=1S/C14H18N4OS2/c1-19-12-4-2-3-11(9-12)18-13(15-16-14(18)20)10-17-5-7-21-8-6-17/h2-4,9H,5-8,10H2,1H3,(H,16,20)/p+1