2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C12H21N5OS MolecularWeight: 283.39304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1N)C2CC2

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NN=C(N1N)C2CC2

InChI

InChI=1S/C12H21N5OS/c1-3-4-8(2)14-10(18)7-19-12-16-15-11(17(12)13)9-5-6-9/h8-9H,3-7,13H2,1-2H3,(H,14,18)/t8-/m0/s1