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

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H19ClN4O3S2 MolecularWeight: 450.96216

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3S2/c1-3-24-18(13-7-5-4-6-8-13)22-23-19(24)28-12-17(25)21-16-11-14(29(2,26)27)9-10-15(16)20/h4-11H,3,12H2,1-2H3,(H,21,25)