(E)-3-azanyl-2-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C20H15FN4O2S MolecularWeight: 394.422103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F)/N

InChI

InChI=1S/C20H15FN4O2S/c1-12(23)16(10-22)18(26)11-28-20-24-17-5-3-2-4-15(17)19(27)25(20)14-8-6-13(21)7-9-14/h2-9H,11,23H2,1H3/b16-12+