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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(3-chloranyl-4-methoxy-phenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(3-chloro-4-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(3-chloro-4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one Formula: C28H29ClN2O2S MolecularWeight: 493.06006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN2O2S/c1-17-13-19(28(3,4)5)14-18(2)22(17)16-34-27-30-24-10-8-7-9-21(24)26(32)31(27)20-11-12-25(33-6)23(29)15-20/h7-15H,16H2,1-6H3