(4-methylsulfanylphenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone Openeye Name: [4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [4-(methylthio)phenyl]-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]methanone Traditional Name: [4-(methylthio)phenyl]-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)methanone Formula: C28H24N2O2S MolecularWeight: 452.56736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C28H24N2O2S/c1-5-16-32-22-12-15-25-24(17-22)26(20-8-6-19(7-9-20)18(2)3)30-28(29-25)27(31)21-10-13-23(33-4)14-11-21/h1,6-15,17-18H,16H2,2-4H3