(2R)-N-(4-ethanoylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)C3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-4-25-18(16-6-5-11-21-12-16)23-24-20(25)28-14(3)19(27)22-17-9-7-15(8-10-17)13(2)26/h5-12,14H,4H2,1-3H3,(H,22,27)/t14-/m1/s1