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

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H33N5OS MolecularWeight: 415.59532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C22H33N5OS/c1-17(2)12-13-18(3)23-20(28)16-29-22-25-24-21(26-14-8-5-9-15-26)27(22)19-10-6-4-7-11-19/h4,6-7,10-11,17-18H,5,8-9,12-16H2,1-3H3,(H,23,28)/t18-/m0/s1