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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[[4-prop-2-enyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-3-pyridyl)acetamide Formula: C17H15ClN6OS MolecularWeight: 386.8586

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(N=CC=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(N=CC=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C17H15ClN6OS/c1-2-10-24-16(13-6-3-4-8-19-13)22-23-17(24)26-11-14(25)21-12-7-5-9-20-15(12)18/h2-9H,1,10-11H2,(H,21,25)