2-[5-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[5-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[4-allyl-5-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-bromo-2-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[4-allyl-5-[(4-bromo-2-fluoro-benzyl)thio]-1,2,4-triazol-3-yl]pyrazine Formula: C16H13BrFN5S MolecularWeight: 406.275323

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=NC=CN=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=NC=CN=C3

InChI

InChI=1S/C16H13BrFN5S/c1-2-7-23-15(14-9-19-5-6-20-14)21-22-16(23)24-10-11-3-4-12(17)8-13(11)18/h2-6,8-9H,1,7,10H2