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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C18H18ClN5OS/c1-24-16(10-7-13-5-3-2-4-6-13)22-23-18(24)26-12-17(25)21-15-9-8-14(19)11-20-15/h2-6,8-9,11H,7,10,12H2,1H3,(H,20,21,25)