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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-ethyl-5-(2-furyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-4-ethyl-5-(2-furanyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(2-furyl)-2-[(4-o-phenetylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3OCC)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3OCC)C4=CC=CO4

InChI

InChI=1S/C21H27N5O2S/c1-3-25-20(19-10-7-15-28-19)22-26(21(25)29)16-23-11-13-24(14-12-23)17-8-5-6-9-18(17)27-4-2/h5-10,15H,3-4,11-14,16H2,1-2H3