1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanone CAS Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]ethanone IUPAC Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]ethanone Formula: C24H24N4OS2 MolecularWeight: 448.60356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4OS2/c1-16-23(17(2)28(26-16)18-9-4-3-5-10-18)30-15-22(29)27-14-8-12-20(27)24-25-19-11-6-7-13-21(19)31-24/h3-7,9-11,13,20H,8,12,14-15H2,1-2H3/t20-/m0/s1