1-(4-fluorophenyl)-4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C18H17FN4OS MolecularWeight: 356.417183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3

InChI

InChI=1S/C18H17FN4OS/c1-23-17(14-4-2-10-20-12-14)21-22-18(23)25-11-3-5-16(24)13-6-8-15(19)9-7-13/h2,4,6-10,12H,3,5,11H2,1H3