2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]acetamide IUPAC Name: 2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)SC=C2

InChI

InChI=1S/C22H21N5O2S2/c1-2-12-26-21(29)18-9-14-30-20(18)25-22(26)31-15-19(28)23-11-8-16-4-6-17(7-5-16)27-13-3-10-24-27/h2-7,9-10,13-14H,1,8,11-12,15H2,(H,23,28)