2-[4-methoxy-3-[pyridin-2-yl(sulfanyl)methyl]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[4-methoxy-3-[pyridin-2-yl(sulfanyl)methyl]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one Openeye Name: 2-[4-methoxy-3-[2-pyridyl(sulfanyl)methyl]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one CAS Name: 2-[3-[mercapto(2-pyridinyl)methyl]-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[4-methoxy-3-[pyridin-2-yl(sulfanyl)methyl]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one Traditional Name: 2-[3-[mercapto(2-pyridyl)methyl]-4-methoxy-phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(C5=CC=CC=N5)S

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(C5=CC=CC=N5)S

InChI

InChI=1S/C27H23N3O2S/c1-32-24-15-14-18(17-21(24)25(33)23-13-7-8-16-28-23)26-29-22-12-6-5-11-20(22)27(31)30(26)19-9-3-2-4-10-19/h2-17,25-26,29,33H,1H3