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

Systemtic Name: 1-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C19H18FN3OS MolecularWeight: 355.429123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3OS/c1-23-18(15-6-3-2-4-7-15)21-22-19(23)25-13-5-8-17(24)14-9-11-16(20)12-10-14/h2-4,6-7,9-12H,5,8,13H2,1H3