N-[(2S)-6-methylheptan-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSC1=NN(C=N1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)CSC1=NN(C=N1)C2=CC=CC=C2

InChI

InChI=1S/C18H26N4OS/c1-14(2)8-7-9-15(3)20-17(23)12-24-18-19-13-22(21-18)16-10-5-4-6-11-16/h4-6,10-11,13-15H,7-9,12H2,1-3H3,(H,20,23)/t15-/m0/s1