1-(4-fluorophenyl)-4,4-dimethyl-1-phenylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 1-(4-fluorophenyl)-4,4-dimethyl-1-phenylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 1-(4-fluorophenyl)-4,4-dimethyl-1-phenylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 1-(4-fluorophenyl)-4,4-dimethyl-1-(phenylthio)-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 1-(4-fluorophenyl)-4,4-dimethyl-1-phenylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 1-(4-fluorophenyl)-4,4-dimethyl-1-(phenylthio)-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(C1=CC=C(C=C1)F)SC2=CC=CC=C2)N3C=NC=N3

Isomeric SMILES

CC(C)(C)C(=O)C(C(C1=CC=C(C=C1)F)SC2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C21H22FN3OS/c1-21(2,3)20(26)18(25-14-23-13-24-25)19(15-9-11-16(22)12-10-15)27-17-7-5-4-6-8-17/h4-14,18-19H,1-3H3