4-ethyl-5-(furan-2-yl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-(furan-2-yl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(2-furyl)-2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(2-furanyl)-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(furan-2-yl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(2-furyl)-2-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H30N5O3S2+ MolecularWeight: 476.6353

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C4=CC=CO4

InChI

InChI=1S/C22H29N5O3S2/c1-4-26-21(20-6-5-15-30-20)23-27(22(26)31)16-24-11-13-25(14-12-24)32(28,29)19-9-7-18(8-10-19)17(2)3/h5-10,15,17H,4,11-14,16H2,1-3H3/p+1