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

Systemtic Name: 4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-(2-fluorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C23H19FN4OS MolecularWeight: 418.486563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4

InChI

InChI=1S/C23H19FN4OS/c24-19-11-4-5-12-20(19)28-22(18-10-6-14-25-16-18)26-27-23(28)30-15-7-13-21(29)17-8-2-1-3-9-17/h1-6,8-12,14,16H,7,13,15H2