methyl 2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(4-anilinoquinazolin-2-yl)sulfanylacetate CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-anilinoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]acetic acid methyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-22-15(21)11-23-17-19-14-10-6-5-9-13(14)16(20-17)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,19,20)