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

Systemtic Name: (2S)-N-(tert-butylcarbamoyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(tert-butylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-[(tert-butylamino)-oxomethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(tert-butylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(tert-butylcarbamoyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H23N5O3S MolecularWeight: 329.41842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCCN1C(=O)NN=C1S[C@@H](C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C13H23N5O3S/c1-6-7-18-11(21)16-17-12(18)22-8(2)9(19)14-10(20)15-13(3,4)5/h8H,6-7H2,1-5H3,(H,16,21)(H2,14,15,19,20)/t8-/m0/s1