2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C10H14F3N5OS MolecularWeight: 309.31127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C10H14F3N5OS/c1-6(7(19)17-4-2-3-5-17)20-9-16-15-8(18(9)14)10(11,12)13/h6H,2-5,14H2,1H3