N-(tert-butylcarbamoyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C14H25N5O3S MolecularWeight: 343.445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C14H25N5O3S/c1-6-7-8-19-12(22)17-18-13(19)23-9(2)10(20)15-11(21)16-14(3,4)5/h9H,6-8H2,1-5H3,(H,17,22)(H2,15,16,20,21)