cyclopropyl-[[5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-[(4-fluorophenyl)methyl]azanium

Systemtic Name: cyclopropyl-[[5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: cyclopropyl-[[5-(2,4-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: cyclopropyl-[[5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[[5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: cyclopropyl-[[5-(2,4-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-(4-fluorobenzyl)ammonium Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)C[NH+](CC3=CC=C(C=C3)F)C4CC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)C[NH+](CC3=CC=C(C=C3)F)C4CC4)OC

InChI

InChI=1S/C21H22FN3O3S/c1-26-17-9-10-18(19(11-17)27-2)20-23-25(21(29)28-20)13-24(16-7-8-16)12-14-3-5-15(22)6-4-14/h3-6,9-11,16H,7-8,12-13H2,1-2H3/p+1