3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-N'-phenethyl-1,2-thiazol-2-ium-2-carboximidamide

Systemtic Name: 3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-N'-phenethyl-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-5-methyl-N'-phenethyl-isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N-(3-chloro-4-fluorophenyl)-5-methyl-N'-phenethyl-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N-(3-chloro-4-fluorophenyl)-5-methyl-N'-phenethyl-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-5-methyl-N'-phenethyl-isothiazol-2-ium-2-carboxamidine Formula: C19H19ClFN4S+ MolecularWeight: 389.897363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](S1)C(=NCCC2=CC=CC=C2)NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

CC1=CC(=[N+](S1)C(=NCCC2=CC=CC=C2)NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C19H18ClFN4S/c1-13-11-18(22)25(26-13)19(23-10-9-14-5-3-2-4-6-14)24-15-7-8-17(21)16(20)12-15/h2-8,11-12,22H,9-10H2,1H3,(H,23,24)/p+1