2-[[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]indolizine-1-carbonitrile Formula: C25H17FN4OS MolecularWeight: 440.492083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN5C=CC=CC5=C4C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN5C=CC=CC5=C4C#N)F

InChI

InChI=1S/C25H17FN4OS/c1-16-9-10-18(12-21(16)26)30-24(31)19-6-2-3-7-22(19)28-25(30)32-15-17-14-29-11-5-4-8-23(29)20(17)13-27/h2-12,14H,15H2,1H3