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

Systemtic Name: 2-[[methyl-(phenylmethyl)amino]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(methyl)amino]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[methyl-(phenylmethyl)amino]methyl]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(methyl)amino]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(methyl)amino]methyl]-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole-3-thione Formula: C27H29N5O2S2 MolecularWeight: 519.68146

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2S2/c1-29(20-22-11-4-2-5-12-22)21-31-27(35)32(24-14-6-3-7-15-24)26(28-31)23-13-10-16-25(19-23)36(33,34)30-17-8-9-18-30/h2-7,10-16,19H,8-9,17-18,20-21H2,1H3