3-[(2,5-dimethoxyphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-[4-(1-piperidylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2,5-dimethoxybenzyl)-4-(4-piperidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H26N4O4S2/c1-29-18-8-11-20(30-2)16(14-18)15-21-23-24-22(31)26(21)17-6-9-19(10-7-17)32(27,28)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,24,31)