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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(1S)-1-methylheptyl]acetamide Formula: C15H27N5OS MolecularWeight: 325.47278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N5OS/c1-3-4-5-6-7-11(2)17-13(21)10-22-15-19-18-14(20(15)16)12-8-9-12/h11-12H,3-10,16H2,1-2H3,(H,17,21)/t11-/m0/s1