4-[(4-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-[(4-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-[(4-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-[(4-bromophenyl)methylthio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-[(4-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-[(4-bromobenzyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C17H15BrN2S2 MolecularWeight: 391.3484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C17H15BrN2S2/c18-12-7-5-11(6-8-12)9-21-16-15-13-3-1-2-4-14(13)22-17(15)20-10-19-16/h5-8,10H,1-4,9H2