2-[5-(4-fluorophenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-(4-fluorophenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-allyl-5-(4-fluorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[5-(4-fluorophenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[5-(4-fluorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-allyl-5-(4-fluorophenyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C17H12FN3OS2 MolecularWeight: 357.425083

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=C(C=C3)F

InChI

InChI=1S/C17H12FN3OS2/c1-2-8-21-16(22)14-13(11-3-5-12(18)6-4-11)10-24-15(14)20-17(21)23-9-7-19/h2-6,10H,1,8-9H2