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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C17H24N4OS/c1-3-4-6-9-14(2)19-16(22)12-23-17-20-18-13-21(17)15-10-7-5-8-11-15/h5,7-8,10-11,13-14H,3-4,6,9,12H2,1-2H3,(H,19,22)/t14-/m0/s1