4-(2-methoxyphenyl)-2-[[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methoxyphenyl)-2-[[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyphenyl)-2-[[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyphenyl)-2-[[4-[(1-methyl-3-pyrrolyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyphenyl)-2-[[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyphenyl)-2-[[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H25N6O3S2+ MolecularWeight: 449.5702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4OC

InChI

InChI=1S/C19H24N6O3S2/c1-21-8-7-16(13-21)30(26,27)23-11-9-22(10-12-23)15-25-19(29)24(14-20-25)17-5-3-4-6-18(17)28-2/h3-8,13-14H,9-12,15H2,1-2H3/p+1