(2S)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: (2S)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: (2S)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: (2S)-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2S)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2S)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C18H14FN3OS MolecularWeight: 339.386663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C#N)F

InChI

InChI=1S/C18H14FN3OS/c1-11-7-8-13(9-15(11)19)22-17(23)14-5-3-4-6-16(14)21-18(22)24-12(2)10-20/h3-9,12H,1-2H3/t12-/m0/s1