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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3)F

InChI

InChI=1S/C20H21FN4O2S/c1-13-8-9-16(12-17(13)21)22-18(26)14(2)28-20-24-23-19(27)25(20)11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,22,26)(H,23,27)