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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)F

InChI

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