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

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C20H18FN3OS MolecularWeight: 367.439823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3OS/c21-15-12-10-14(11-13-15)19-22-23-20(24(19)16-6-2-1-3-7-16)26-18-9-5-4-8-17(18)25/h1-3,6-7,10-13,18H,4-5,8-9H2