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

Systemtic Name: 1-(4-fluoranyl-3-methyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluoro-3-methyl-phenyl)ethanone CAS Name: 1-(4-fluoro-3-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-fluoro-3-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-fluoro-3-methyl-phenyl)ethanone Formula: C19H17FN4OS MolecularWeight: 368.427883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN4OS/c1-3-10-24-18(14-6-8-21-9-7-14)22-23-19(24)26-12-17(25)15-4-5-16(20)13(2)11-15/h3-9,11H,1,10,12H2,2H3