2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[methyl-(1-methyl-4-piperidyl)amino]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[methyl-(1-methyl-4-piperidinyl)amino]methyl]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[methyl-(1-methyl-4-piperidyl)amino]methyl]-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole-3-thione Formula: C26H34N6O2S2 MolecularWeight: 526.71716

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1CCC(CC1)N(C)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H34N6O2S2/c1-28-17-13-22(14-18-28)29(2)20-31-26(35)32(23-10-4-3-5-11-23)25(27-31)21-9-8-12-24(19-21)36(33,34)30-15-6-7-16-30/h3-5,8-12,19,22H,6-7,13-18,20H2,1-2H3