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

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C24H21N5O2S/c1-16(30)18-8-10-20(11-9-18)26-23(31)17(2)32-24-28-27-22(19-12-14-25-15-13-19)29(24)21-6-4-3-5-7-21/h3-15,17H,1-2H3,(H,26,31)/t17-/m0/s1