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

Systemtic Name: 2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C15H17FN4OS MolecularWeight: 320.385083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)N3CCCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)N3CCCC3

InChI

InChI=1S/C15H17FN4OS/c1-11-17-18-15(20(11)13-6-4-12(16)5-7-13)22-10-14(21)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3