N-(4-fluorophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C21H16FN3O2S3 MolecularWeight: 457.564043

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)F)SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)F)SC=C2C4=CC=CS4

InChI

InChI=1S/C21H16FN3O2S3/c1-2-9-25-20(27)18-15(16-4-3-10-28-16)11-29-19(18)24-21(25)30-12-17(26)23-14-7-5-13(22)6-8-14/h2-8,10-11H,1,9,12H2,(H,23,26)