2-[6-ethyl-3-(4-fluorophenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-ethyl-3-(4-fluorophenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[6-ethyl-3-(4-fluorophenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[6-ethyl-3-(4-fluorophenyl)-5-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[6-ethyl-3-(4-fluorophenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[6-ethyl-3-(4-fluorophenyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C17H14FN3OS2 MolecularWeight: 359.440963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)F)SCC#N)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)F)SCC#N)C

InChI

InChI=1S/C17H14FN3OS2/c1-3-13-10(2)14-15(24-13)20-17(23-9-8-19)21(16(14)22)12-6-4-11(18)5-7-12/h4-7H,3,9H2,1-2H3