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

Systemtic Name: 2-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[4-(2-fluorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C19H17FN4OS MolecularWeight: 368.427883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4

InChI

InChI=1S/C19H17FN4OS/c20-14-7-1-2-8-15(14)24-18(13-6-5-11-21-12-13)22-23-19(24)26-17-10-4-3-9-16(17)25/h1-2,5-8,11-12,17H,3-4,9-10H2