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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluoro-phenyl)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluoro-phenyl)propionamide Formula: C15H16BrFN4OS MolecularWeight: 399.281143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H16BrFN4OS/c1-4-7-21-10(3)19-20-15(21)23-9(2)14(22)18-13-6-5-11(16)8-12(13)17/h4-6,8-9H,1,7H2,2-3H3,(H,18,22)