4-ethyl-5-(furan-2-yl)-2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-(furan-2-yl)-2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(2-furyl)-2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(2-furanyl)-2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(furan-2-yl)-2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(2-furyl)-2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H24N5O2S+ MolecularWeight: 386.49116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2S/c1-2-23-18(17-4-3-13-26-17)20-24(19(23)27)14-21-9-11-22(12-10-21)15-5-7-16(25)8-6-15/h3-8,13,25H,2,9-12,14H2,1H3/p+1