[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]methanone CAS Name: [2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]methanone IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone Traditional Name: [2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]phenyl]-[(2S)-2-(2-thienyl)pyrrolidino]methanone Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N3CCCC3C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N3CCC[C@H]3C4=CC=CS4)C

InChI

InChI=1S/C22H23N3OS2/c1-15-13-16(2)24-22(23-15)28-14-17-7-3-4-8-18(17)21(26)25-11-5-9-19(25)20-10-6-12-27-20/h3-4,6-8,10,12-13,19H,5,9,11,14H2,1-2H3/t19-/m0/s1