3-fluoranyl-4-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide Openeye Name: 3-fluoro-4-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide CAS Name: 3-fluoro-4-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide IUPAC Name: 3-fluoro-4-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbothioamide Traditional Name: 3-fluoro-4-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]thiobenzamide Formula: C12H13FN3S+ MolecularWeight: 250.315123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

CC1=[N+](C=CN1)CC2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C12H12FN3S/c1-8-15-4-5-16(8)7-10-3-2-9(12(14)17)6-11(10)13/h2-6H,7H2,1H3,(H2,14,17)/p+1