3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]propionamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)CCSCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)CCSCC(=O)N

InChI

InChI=1S/C21H21FN4O2S/c22-17-8-6-15(7-9-17)21-16(12-24-20(28)10-11-29-14-19(23)27)13-26(25-21)18-4-2-1-3-5-18/h1-9,13H,10-12,14H2,(H2,23,27)(H,24,28)