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

Systemtic Name: 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(4-fluorobenzyl)propionamide Formula: C15H17FN4O2S MolecularWeight: 336.384483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NNC(=O)N2C3CC3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C15H17FN4O2S/c1-9(13(21)17-8-10-2-4-11(16)5-3-10)23-15-19-18-14(22)20(15)12-6-7-12/h2-5,9,12H,6-8H2,1H3,(H,17,21)(H,18,22)