N-[(3-methoxyphenyl)methyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide Traditional Name: N-m-anisyl-2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-28-18-7-5-6-16(10-18)11-22-20(26)14-25-13-17(12-23-25)24-21(27)15-29-19-8-3-2-4-9-19/h2-10,12-13H,11,14-15H2,1H3,(H,22,26)(H,24,27)