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

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5OS/c1-15(2)16(3)21-18(26)14-27-20-23-22-19(24-12-8-5-9-13-24)25(20)17-10-6-4-7-11-17/h4,6-7,10-11,15-16H,5,8-9,12-14H2,1-3H3,(H,21,26)/t16-/m0/s1