2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-3-propyl-quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-propyl-quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-7-chloro-3-propyl-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-3-propylquinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-7-chloro-3-propyl-quinazolin-4-one Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25ClN2OS/c1-5-12-25-20(26)18-11-10-17(23)13-19(18)24-21(25)27-14-15-6-8-16(9-7-15)22(2,3)4/h6-11,13H,5,12,14H2,1-4H3