2-(4-acetamidophenyl)sulfanyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]propanamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]propanamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=NC=C1)N2C=CC=N2)SC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NCC1=CC(=NC=C1)N2C=CC=N2)SC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H21N5O2S/c1-14(28-18-6-4-17(5-7-18)24-15(2)26)20(27)22-13-16-8-10-21-19(12-16)25-11-3-9-23-25/h3-12,14H,13H2,1-2H3,(H,22,27)(H,24,26)