diethyl-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]ethyl]azanium Openeye Name: diethyl-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]ethyl]ammonium CAS Name: diethyl-[2-[[[[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]ethyl]azanium Traditional Name: diethyl-[2-[[1-(2-fluorobenzyl)pyrazol-4-yl]thiocarbamoylamino]ethyl]ammonium Formula: C17H25FN5S+ MolecularWeight: 350.477303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=S)NC1=CN(N=C1)CC2=CC=CC=C2F

Isomeric SMILES

CC[NH+](CC)CCNC(=S)NC1=CN(N=C1)CC2=CC=CC=C2F

InChI

InChI=1S/C17H24FN5S/c1-3-22(4-2)10-9-19-17(24)21-15-11-20-23(13-15)12-14-7-5-6-8-16(14)18/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H2,19,21,24)/p+1