2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC)C)C(C)(C)C

InChI

InChI=1S/C28H30N2O2S/c1-18-14-20(28(3,4)5)15-19(2)24(18)17-33-27-29-25-13-8-7-12-23(25)26(31)30(27)21-10-9-11-22(16-21)32-6/h7-16H,17H2,1-6H3