N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4,6-difluoro-phenyl)acetamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4,6-difluoro-phenyl)acetamide Formula: C20H17BrF2N4OS MolecularWeight: 479.340986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Br)F)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Br)F)F

InChI

InChI=1S/C20H17BrF2N4OS/c1-3-7-27-19(13-6-4-5-12(2)8-13)25-26-20(27)29-11-17(28)24-18-15(21)9-14(22)10-16(18)23/h3-6,8-10H,1,7,11H2,2H3,(H,24,28)