N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-(2-pyrimidylthio)propionamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CCSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CCSC3=NC=CC=N3

InChI

InChI=1S/C17H17N5OS/c23-16(7-10-24-17-18-8-4-9-19-17)20-11-14-12-21-22(13-14)15-5-2-1-3-6-15/h1-6,8-9,12-13H,7,10-11H2,(H,20,23)