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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-pyridyl)acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-pyridyl)acetamide Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN5OS/c1-2-12-26-18(11-8-15-6-4-3-5-7-15)24-25-20(26)28-14-19(27)23-17-10-9-16(21)13-22-17/h2-7,9-10,13H,1,8,11-12,14H2,(H,22,23,27)