4-(4-tert-butylphenoxy)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 4-(4-tert-butylphenoxy)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline Openeye Name: 4-(4-tert-butylphenoxy)-2-(p-tolylmethylsulfanyl)-5,6,7,8-tetrahydroquinazoline CAS Name: 4-(4-tert-butylphenoxy)-2-[(4-methylphenyl)methylthio]-5,6,7,8-tetrahydroquinazoline IUPAC Name: 4-(4-tert-butylphenoxy)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline Traditional Name: 4-(4-tert-butylphenoxy)-2-[(4-methylbenzyl)thio]-5,6,7,8-tetrahydroquinazoline Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H30N2OS/c1-18-9-11-19(12-10-18)17-30-25-27-23-8-6-5-7-22(23)24(28-25)29-21-15-13-20(14-16-21)26(2,3)4/h9-16H,5-8,17H2,1-4H3