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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C11H21N5OS MolecularWeight: 271.38234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C11H21N5OS/c1-3-4-5-6-8(2)13-9(17)7-18-11-14-10(12)15-16-11/h8H,3-7H2,1-2H3,(H,13,17)(H3,12,14,15,16)/t8-/m0/s1