S-[4-(3-bromanyl-4-fluoranyl-phenyl)-3-cyano-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] butanethioate

Systemtic Name: S-[4-(3-bromanyl-4-fluoranyl-phenyl)-3-cyano-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] butanethioate Openeye Name: S-[4-(3-bromo-4-fluoro-phenyl)-3-cyano-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] butanethioate CAS Name: butanethioic acid S-[4-(3-bromo-4-fluorophenyl)-3-cyano-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester IUPAC Name: S-[4-(3-bromo-4-fluorophenyl)-3-cyano-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] butanethioate Traditional Name: butanethioic acid S-[4-(3-bromo-4-fluoro-phenyl)-3-cyano-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester Formula: C20H17BrFN3OS MolecularWeight: 446.335883

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC1=NC=CC2=C1C(C(=C(N2)C)C#N)C3=CC(=C(C=C3)F)Br

Isomeric SMILES

CCCC(=O)SC1=NC=CC2=C1C(C(=C(N2)C)C#N)C3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C20H17BrFN3OS/c1-3-4-17(26)27-20-19-16(7-8-24-20)25-11(2)13(10-23)18(19)12-5-6-15(22)14(21)9-12/h5-9,18,25H,3-4H2,1-2H3