1-[5-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1,2,4-thiadiazol-3-yl]prop-1-en-2-yl-phenethyl-azanium

Systemtic Name: 1-[5-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1,2,4-thiadiazol-3-yl]prop-1-en-2-yl-phenethyl-azanium Openeye Name: [2-[5-(3-chloro-4-fluoro-anilino)-1,2,4-thiadiazol-3-yl]-1-methyl-vinyl]-phenethyl-ammonium CAS Name: 1-[5-(3-chloro-4-fluoroanilino)-1,2,4-thiadiazol-3-yl]prop-1-en-2-yl-phenethylammonium IUPAC Name: 1-[5-(3-chloro-4-fluoroanilino)-1,2,4-thiadiazol-3-yl]prop-1-en-2-yl-phenethylazanium Traditional Name: [2-[5-(3-chloro-4-fluoro-anilino)-1,2,4-thiadiazol-3-yl]-1-methyl-vinyl]-phenethyl-ammonium Formula: C19H19ClFN4S+ MolecularWeight: 389.897363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NSC(=N1)NC2=CC(=C(C=C2)F)Cl)[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CC(=CC1=NSC(=N1)NC2=CC(=C(C=C2)F)Cl)[NH2+]CCC3=CC=CC=C3

InChI

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