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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C18H16BrN5OS MolecularWeight: 430.32154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5OS/c1-2-10-24-17(13-6-4-3-5-7-13)22-23-18(24)26-12-16(25)21-15-9-8-14(19)11-20-15/h2-9,11H,1,10,12H2,(H,20,21,25)