4-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine CAS Name: 4-[(4-tert-butylphenyl)methylthio]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-[(4-tert-butylbenzyl)thio]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine Formula: C23H21ClN2S2 MolecularWeight: 425.00924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN2S2/c1-23(2,3)17-8-4-15(5-9-17)12-27-21-20-19(13-28-22(20)26-14-25-21)16-6-10-18(24)11-7-16/h4-11,13-14H,12H2,1-3H3