(5-cyano-2,3,4-trimethyl-6-sulfanylidene-pyridin-1-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: (5-cyano-2,3,4-trimethyl-6-sulfanylidene-pyridin-1-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (5-cyano-2,3,4-trimethyl-6-thioxo-1-pyridyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (5-cyano-2,3,4-trimethyl-6-sulfanylidene-1-pyridinyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (5-cyano-2,3,4-trimethyl-6-sulfanylidenepyridin-1-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (5-cyano-2,3,4-trimethyl-6-thioxo-1-pyridyl)methyl-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C20H23FN3S+ MolecularWeight: 356.480123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+](CC2=CC=C(C=C2)F)C3CC3)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+](CC2=CC=C(C=C2)F)C3CC3)C

InChI

InChI=1S/C20H22FN3S/c1-13-14(2)19(10-22)20(25)24(15(13)3)12-23(18-8-9-18)11-16-4-6-17(21)7-5-16/h4-7,18H,8-9,11-12H2,1-3H3/p+1