N-[(2S)-6-methylheptan-2-yl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C23H29N5OS/c1-17(2)9-7-10-18(3)25-21(29)16-30-23-27-26-22(19-11-8-14-24-15-19)28(23)20-12-5-4-6-13-20/h4-6,8,11-15,17-18H,7,9-10,16H2,1-3H3,(H,25,29)/t18-/m0/s1