3-[(4,5-dimethoxy-2-piperidin-1-ylsulfonyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S2/c1-29-18-13-16(14-21-23-24-22(31)26(21)17-9-5-3-6-10-17)20(15-19(18)30-2)32(27,28)25-11-7-4-8-12-25/h3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1-2H3,(H,24,31)