(2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H13FN4OS MolecularWeight: 280.321223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=NN2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=NC=NN2)F

InChI

InChI=1S/C12H13FN4OS/c1-7-3-4-9(5-10(7)13)16-11(18)8(2)19-12-14-6-15-17-12/h3-6,8H,1-2H3,(H,16,18)(H,14,15,17)/t8-/m0/s1