N-[(4-fluorophenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-fluorobenzyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H17FN4OS MolecularWeight: 356.417183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17FN4OS/c1-12(17(24)20-11-13-7-9-15(19)10-8-13)25-18-21-16(22-23-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22,23)