N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18ClN5O3S2 MolecularWeight: 451.95022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O3S2/c1-3-24-17(12-6-8-20-9-7-12)22-23-18(24)28-11-16(25)21-15-10-13(29(2,26)27)4-5-14(15)19/h4-10H,3,11H2,1-2H3,(H,21,25)