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

Systemtic Name: 2-[3-butyl-5-(4-fluorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-butyl-5-(4-fluorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-butyl-5-(4-fluorophenyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-butyl-5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-butyl-5-(4-fluorophenyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C18H16FN3OS2 MolecularWeight: 373.467543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3OS2/c1-2-3-9-22-17(23)15-14(12-4-6-13(19)7-5-12)11-25-16(15)21-18(22)24-10-8-20/h4-7,11H,2-3,9-10H2,1H3