N-[(1-methylpyrazol-4-yl)methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-2-(phenylthio)acetamide IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide Traditional Name: N-[(1-methylpyrazol-4-yl)methyl]-2-(phenylthio)acetamide Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C13H15N3OS/c1-16-9-11(8-15-16)7-14-13(17)10-18-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3,(H,14,17)