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

Systemtic Name: cyclopropyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: cyclopropyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: cyclopropyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: cyclopropyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(4-fluorobenzyl)ammonium Formula: C20H22FN4S2+ MolecularWeight: 401.543883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+](CC3=CC=C(C=C3)F)C4CC4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+](CC3=CC=C(C=C3)F)C4CC4)C5=CC=CS5

InChI

InChI=1S/C20H21FN4S2/c21-15-5-3-14(4-6-15)12-23(16-7-8-16)13-24-20(26)25(17-9-10-17)19(22-24)18-2-1-11-27-18/h1-6,11,16-17H,7-10,12-13H2/p+1