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

Systemtic Name: 1-(4-fluorophenyl)-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C15H18FN3OS MolecularWeight: 307.386323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C1=NC(=NN1)SCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H18FN3OS/c1-10(2)14-17-15(19-18-14)21-9-3-4-13(20)11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)