2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C16H21ClN4O2S/c1-4-5-6-21-15(23)19-20-16(21)24-9-13(22)18-14-11(3)7-10(2)8-12(14)17/h7-8H,4-6,9H2,1-3H3,(H,18,22)(H,19,23)