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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-fluorobenzyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H21FN4O2S/c1-14(18(26)22-13-16-7-9-17(21)10-8-16)28-20-24-23-19(27)25(20)12-11-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,22,26)(H,23,27)