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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H18ClFN4O2S MolecularWeight: 420.888223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C19H18ClFN4O2S/c1-12(17(26)22-14-7-8-16(21)15(20)11-14)28-19-24-23-18(27)25(19)10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,23,27)