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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN(C(=S)O2)C[NH+](CC3=CC=C(C=C3)F)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN(C(=S)O2)C[NH+](CC3=CC=C(C=C3)F)C4CC4

InChI

InChI=1S/C21H22FN3O3S/c1-26-18-8-10-19(11-9-18)27-13-20-23-25(21(29)28-20)14-24(17-6-7-17)12-15-2-4-16(22)5-3-15/h2-5,8-11,17H,6-7,12-14H2,1H3/p+1