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

Systemtic Name: cyclopropyl-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: cyclopropyl-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: cyclopropyl-[[4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: cyclopropyl-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(4-fluorobenzyl)ammonium Formula: C21H23FN5S+ MolecularWeight: 396.504223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5S/c22-17-5-3-15(4-6-17)13-25(18-7-8-18)14-26-21(28)27(19-9-10-19)20(24-26)16-2-1-11-23-12-16/h1-6,11-12,18-19H,7-10,13-14H2/p+1