5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5O4S2/c1-29-17-5-3-16(4-6-17)20-22-21(31)26(23-20)15-24-11-13-25(14-12-24)32(27,28)19-9-7-18(30-2)8-10-19/h3-10H,11-15H2,1-2H3,(H,22,23,31)