2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-2-[(4-p-phenetylsulfonylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3S2/c1-2-29-19-8-10-20(11-9-19)31(27,28)24-14-12-23(13-15-24)17-26-21(30)25(16-22-26)18-6-4-3-5-7-18/h3-11,16H,2,12-15,17H2,1H3