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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)propanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethyl-phenyl)propanamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4,6-dimethylphenyl)propanamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)propanamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4,6-dimethyl-phenyl)propionamide Formula: C17H23ClN4O2S MolecularWeight: 382.90812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C17H23ClN4O2S/c1-5-6-7-22-16(24)20-21-17(22)25-12(4)15(23)19-14-11(3)8-10(2)9-13(14)18/h8-9,12H,5-7H2,1-4H3,(H,19,23)(H,20,24)