methyl 3-[[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H17N3O3S/c1-30-23(29)18-6-4-5-17(13-18)15-31-24-26-21-8-3-2-7-20(21)22(28)27(24)19-11-9-16(14-25)10-12-19/h2-13H,15H2,1H3