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

Systemtic Name: 4-[5-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(4-bromo-2-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[(4-bromo-2-fluoro-benzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C17H14BrFN4S MolecularWeight: 405.287263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrFN4S/c1-2-9-23-16(12-5-7-20-8-6-12)21-22-17(23)24-11-13-3-4-14(18)10-15(13)19/h2-8,10H,1,9,11H2