2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C20H25FN4OS MolecularWeight: 388.502103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=CC=C4F

InChI

InChI=1S/C20H25FN4OS/c21-17-11-5-4-10-16(17)19-22-23-20(25(19)15-8-2-1-3-9-15)27-14-18(26)24-12-6-7-13-24/h4-5,10-11,15H,1-3,6-9,12-14H2