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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C17H15BrN6OS MolecularWeight: 431.3096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN6OS/c1-2-8-24-16(12-4-3-7-19-9-12)22-23-17(24)26-11-15(25)21-14-6-5-13(18)10-20-14/h2-7,9-10H,1,8,11H2,(H,20,21,25)