2-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)imino-5-methyl-6-(trifluoromethyl)pyridazin-2-ium-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)imino-5-methyl-6-(trifluoromethyl)pyridazin-2-ium-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)imino-5-methyl-6-(trifluoromethyl)pyridazin-2-ium-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)imino-5-methyl-6-(trifluoromethyl)-3-pyridazin-2-iumone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)imino-5-methyl-6-(trifluoromethyl)pyridazin-2-ium-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)imino-5-methyl-6-(trifluoromethyl)pyridazin-2-ium-3-one Formula: C19H11BrF3N4OS+ MolecularWeight: 480.28105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=[N+](C(=O)C1=NC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

CC1=C(N=[N+](C(=O)C1=NC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C19H11BrF3N4OS/c1-10-15(24-12-8-6-11(20)7-9-12)17(28)27(26-16(10)19(21,22)23)18-25-13-4-2-3-5-14(13)29-18/h2-9H,1H3/q+1