N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide

Systemtic Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide Openeye Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide CAS Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]acetamide IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide Traditional Name: N-[2-(4-hydroxyphenyl)ethyl]-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:

C1=CC=C(C=C1)SCC(=O)NC2=CN(N=C2)CC(=O)NCCC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=CN(N=C2)CC(=O)NCCC3=CC=C(C=C3)O

InChI

InChI=1S/C21H22N4O3S/c26-18-8-6-16(7-9-18)10-11-22-20(27)14-25-13-17(12-23-25)24-21(28)15-29-19-4-2-1-3-5-19/h1-9,12-13,26H,10-11,14-15H2,(H,22,27)(H,24,28)