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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C18H21FN4OS MolecularWeight: 360.448943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4)F

InChI

InChI=1S/C18H21FN4OS/c1-10-3-6-13(9-15(10)19)20-17(24)11(2)25-18-22-21-16(12-4-5-12)23(18)14-7-8-14/h3,6,9,11-12,14H,4-5,7-8H2,1-2H3,(H,20,24)