4-(2-methoxyethyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methoxyethyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-methoxyethyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methoxyethyl)-3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methoxyethyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-methoxyethyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-thione Formula: C16H24N5O3S2+ MolecularWeight: 398.52346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CCOC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CCOC

InChI

InChI=1S/C16H23N5O3S2/c1-19-7-9-20(10-8-19)26(22,23)14-5-3-13(4-6-14)15-17-18-16(25)21(15)11-12-24-2/h3-6H,7-12H2,1-2H3,(H,18,25)/p+1