2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one Openeye Name: 2-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one CAS Name: 2-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one Traditional Name: 2-[4-methoxy-3-[(2-pyridylthio)methyl]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)CSC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)CSC5=CC=CC=N5

InChI

InChI=1S/C27H23N3O2S/c1-32-24-15-14-19(17-20(24)18-33-25-13-7-8-16-28-25)26-29-23-12-6-5-11-22(23)27(31)30(26)21-9-3-2-4-10-21/h2-17,26,29H,18H2,1H3