N-[(2-fluorophenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-[(2-fluorophenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-[(2-fluorophenyl)methyl]-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanamide IUPAC Name: N-[(2-fluorophenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-(2-fluorobenzyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propionamide Formula: C24H23FN4OS MolecularWeight: 434.529023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CSCCC(=O)NCC3=CC=CC=C3F)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CSCCC(=O)NCC3=CC=CC=C3F)N4C=CC=C4

InChI

InChI=1S/C24H23FN4OS/c25-22-11-5-4-8-19(22)16-26-23(30)12-15-31-18-20-17-27-29(21-9-2-1-3-10-21)24(20)28-13-6-7-14-28/h1-11,13-14,17H,12,15-16,18H2,(H,26,30)