2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 4-phenylbenzoate

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 4-phenylbenzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H24N2O2S/c1-17-15-23-19(3)27-26(28-24(23)16-18(17)2)31-14-13-30-25(29)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-12,15-16H,13-14H2,1-3H3