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

Systemtic Name: (2S)-2-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H20FN3OS/c22-16-10-12-17(13-11-16)25-20(14-15-6-2-1-3-7-15)23-24-21(25)27-19-9-5-4-8-18(19)26/h1-3,6-7,10-13,19H,4-5,8-9,14H2/t19-/m0/s1