5-(4-ethylphenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethylphenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[[4-(2-thienylsulfonyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H23N5O2S3 MolecularWeight: 449.61322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N5O2S3/c1-2-15-5-7-16(8-6-15)18-20-19(27)24(21-18)14-22-9-11-23(12-10-22)29(25,26)17-4-3-13-28-17/h3-8,13H,2,9-12,14H2,1H3,(H,20,21,27)