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

Systemtic Name: 1-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C17H20FN3OS MolecularWeight: 333.423603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2CC2)C3=CC=CC=C3F

InChI

InChI=1S/C17H20FN3OS/c1-17(2,3)14(22)10-23-16-20-19-15(21(16)11-8-9-11)12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3