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

Systemtic Name: cyclopropyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: cyclopropyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: cyclopropyl-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(4-fluorobenzyl)ammonium Formula: C21H24FN4S+ MolecularWeight: 383.505463

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4S/c1-2-25-20(17-6-4-3-5-7-17)23-26(21(25)27)15-24(19-12-13-19)14-16-8-10-18(22)11-9-16/h3-11,19H,2,12-15H2,1H3/p+1