(E)-3-azanyl-2-[2-(4-oxidanylidene-3-phenyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(4-oxidanylidene-3-phenyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[4-oxo-3-phenyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(4-oxo-3-phenyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-keto-3-phenyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]but-2-enenitrile Formula: C22H16N4O2S3 MolecularWeight: 464.58304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1C4=CC=CC=C4)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1C4=CC=CC=C4)/N

InChI

InChI=1S/C22H16N4O2S3/c1-13(24)15(10-23)17(27)12-31-22-25-20-19(16(11-30-20)18-8-5-9-29-18)21(28)26(22)14-6-3-2-4-7-14/h2-9,11H,12,24H2,1H3/b15-13+