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

Systemtic Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C15H20FN4S+ MolecularWeight: 307.409503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C15H19FN4S/c1-18(9-11-3-7-13(16)8-4-11)10-20-15(21)19(2)14(17-20)12-5-6-12/h3-4,7-8,12H,5-6,9-10H2,1-2H3/p+1