(2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-thieno[2,3-d]pyrimidinylthio)propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide Traditional Name: (2S)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)propionamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H19N5O2S2/c1-12-16(20(27)25(24(12)3)14-7-5-4-6-8-14)23-17(26)13(2)29-19-15-9-10-28-18(15)21-11-22-19/h4-11,13H,1-3H3,(H,23,26)/t13-/m0/s1