N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C18H15BrFN5OS MolecularWeight: 448.312003

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=NC=C3

InChI

InChI=1S/C18H15BrFN5OS/c1-2-9-25-17(12-5-7-21-8-6-12)23-24-18(25)27-11-16(26)22-15-4-3-13(19)10-14(15)20/h2-8,10H,1,9,11H2,(H,22,26)