5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-o-phenetylpiperazino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C21H24N5OS- MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C21H25N5OS/c1-2-27-19-11-7-6-10-18(19)25-14-12-24(13-15-25)16-20-22-23-21(28)26(20)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,28)/p-1