4-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-[(4-bromophenyl)methylthio]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-[(4-bromobenzyl)thio]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine Formula: C21H17BrN2S2 MolecularWeight: 441.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C21H17BrN2S2/c1-13-3-6-16(9-14(13)2)18-11-26-21-19(18)20(23-12-24-21)25-10-15-4-7-17(22)8-5-15/h3-9,11-12H,10H2,1-2H3