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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-mesylpiperazino)methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione Formula: C15H21N5O3S2 MolecularWeight: 383.48894

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O3S2/c1-23-13-5-3-12(4-6-13)14-16-15(24)20(17-14)11-18-7-9-19(10-8-18)25(2,21)22/h3-6H,7-11H2,1-2H3,(H,16,17,24)