3-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-2-[[(4-chlorophenyl)thio]methyl]-4-quinazolinone IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(4-tert-butylbenzyl)-2-[[(4-chlorophenyl)thio]methyl]quinazolin-4-one Formula: C26H25ClN2OS MolecularWeight: 449.0075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN2OS/c1-26(2,3)19-10-8-18(9-11-19)16-29-24(17-31-21-14-12-20(27)13-15-21)28-23-7-5-4-6-22(23)25(29)30/h4-15H,16-17H2,1-3H3