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

Systemtic Name: N-(2-chloranylpyridin-3-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-(2-chloro-3-pyridyl)acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloropyridin-3-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-(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=CN=CC=C3

Isomeric SMILES

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

InChI

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