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

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H17N5O2S/c1-11(24)13-3-5-15(6-4-13)20-17(25)12(2)26-18-21-16(22-23-18)14-7-9-19-10-8-14/h3-10,12H,1-2H3,(H,20,25)(H,21,22,23)/t12-/m1/s1