N-[(R)-phenyl(pyridin-4-yl)methyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide

Systemtic Name: N-[(R)-phenyl(pyridin-4-yl)methyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide Openeye Name: N-[(R)-phenyl(4-pyridyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide CAS Name: 2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]-N-[(R)-phenyl(pyridin-4-yl)methyl]acetamide IUPAC Name: N-[(R)-phenyl(pyridin-4-yl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide Traditional Name: N-[(R)-phenyl(4-pyridyl)methyl]-2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=NC=C2)NC(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C2=CC=NC=C2)NC(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2S/c31-23(29-25(19-7-3-1-4-8-19)20-11-13-26-14-12-20)17-30-16-21(15-27-30)28-24(32)18-33-22-9-5-2-6-10-22/h1-16,25H,17-18H2,(H,28,32)(H,29,31)/t25-/m1/s1