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

Systemtic Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C17H22FN4S+ MolecularWeight: 333.446783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)F)CN2C(=S)N(C(=N2)C3CC3)C4CC4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)F)CN2C(=S)N(C(=N2)C3CC3)C4CC4

InChI

InChI=1S/C17H21FN4S/c1-20(10-12-2-6-14(18)7-3-12)11-21-17(23)22(15-8-9-15)16(19-21)13-4-5-13/h2-3,6-7,13,15H,4-5,8-11H2,1H3/p+1