1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridine-2-thione

Systemtic Name: 1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridine-2-thione Openeye Name: 1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridine-2-thione CAS Name: 1-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinethione IUPAC Name: 1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridine-2-thione Traditional Name: 1-[[methyl-[4-(methylthio)benzyl]amino]methyl]-5-pyrrolidinosulfonyl-pyridine-2-thione Formula: C19H25N3O2S3 MolecularWeight: 423.6157

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CN2C=C(C=CC2=S)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CN2C=C(C=CC2=S)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H25N3O2S3/c1-20(13-16-5-7-17(26-2)8-6-16)15-21-14-18(9-10-19(21)25)27(23,24)22-11-3-4-12-22/h5-10,14H,3-4,11-13,15H2,1-2H3