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

Systemtic Name: 2-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-[(3S)-3-methylpiperidino]ethanone Formula: C23H25FN4OS MolecularWeight: 424.534203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C23H25FN4OS/c1-17-6-5-13-27(15-17)22(29)16-30-23-26-25-21(14-18-7-3-2-4-8-18)28(23)20-11-9-19(24)10-12-20/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m0/s1