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

Systemtic Name: N-[(2S)-octan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-methylheptyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2S)-octan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-octan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-methylheptyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C18H26N4OS/c1-3-4-5-7-10-14(2)19-16(23)13-24-18-20-17(21-22-18)15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10,13H2,1-2H3,(H,19,23)(H,20,21,22)/t14-/m0/s1