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

Systemtic Name: 1-(4-fluoranyl-3-methyl-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluoro-3-methyl-phenyl)ethanone CAS Name: 1-(4-fluoro-3-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-fluoro-3-methylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-fluoro-3-methyl-phenyl)ethanone Formula: C20H18FN3OS MolecularWeight: 367.439823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)F

InChI

InChI=1S/C20H18FN3OS/c1-3-11-24-19(15-7-5-4-6-8-15)22-23-20(24)26-13-18(25)16-9-10-17(21)14(2)12-16/h3-10,12H,1,11,13H2,2H3