2-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C18H20BrN5S2 MolecularWeight: 450.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C18H20BrN5S2/c1-4-24-16(11-25-17-20-12(2)9-13(3)21-17)22-23-18(24)26-10-14-5-7-15(19)8-6-14/h5-9H,4,10-11H2,1-3H3