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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-5-methylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-methylsulfonyl-phenyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-methylsulfonylphenyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-mesyl-phenyl)acetamide Formula: C15H19ClN4O4S2 MolecularWeight: 418.91876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H19ClN4O4S2/c1-3-4-7-20-14(22)18-19-15(20)25-9-13(21)17-12-8-10(26(2,23)24)5-6-11(12)16/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,21)(H,18,22)