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

Systemtic Name: cyclopropyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: cyclopropyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: cyclopropyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: cyclopropyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(4-fluorobenzyl)ammonium Formula: C20H23FN5S+ MolecularWeight: 384.493523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](CC2=CC=C(C=C2)F)C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](CC2=CC=C(C=C2)F)C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H22FN5S/c1-2-25-19(16-9-11-22-12-10-16)23-26(20(25)27)14-24(18-7-8-18)13-15-3-5-17(21)6-4-15/h3-6,9-12,18H,2,7-8,13-14H2,1H3/p+1