methyl 2-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[4-(2-cyanophenyl)phenyl]methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[4-(2-cyanophenyl)benzyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H19N3O3S/c1-31-23(29)15-28-24(30)21-8-4-5-9-22(21)27-25(28)32-16-17-10-12-18(13-11-17)20-7-3-2-6-19(20)14-26/h2-13H,15-16H2,1H3