2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[2-(2,6-dimethylphenoxy)ethylthio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[2-(2,6-dimethylphenoxy)ethylthio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCCOC4=C(C=CC=C4C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCCOC4=C(C=CC=C4C)C

InChI

InChI=1S/C26H26N2O3S/c1-17-12-13-23(30-4)22(16-17)28-25(29)20-10-5-6-11-21(20)27-26(28)32-15-14-31-24-18(2)8-7-9-19(24)3/h5-13,16H,14-15H2,1-4H3