4-bromanyl-5-methyl-3-[[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]amino]indol-2-one

Systemtic Name: 4-bromanyl-5-methyl-3-[[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]amino]indol-2-one Openeye Name: 4-bromo-5-methyl-3-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)anilino]indol-2-one CAS Name: 4-bromo-5-methyl-3-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)anilino]-2-indolone IUPAC Name: 4-bromo-5-methyl-3-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)anilino]indol-2-one Traditional Name: 4-bromo-5-methyl-3-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)anilino]indol-2-one Formula: C23H17BrN3OS+ MolecularWeight: 463.36958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(S2)C3=CC=C(C=C3)NC4=C5C(=NC4=O)C=CC(=C5Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(S2)C3=CC=C(C=C3)NC4=C5C(=NC4=O)C=CC(=C5Br)C

InChI

InChI=1S/C23H16BrN3OS/c1-12-3-9-16-18(11-12)29-23(27-16)14-5-7-15(8-6-14)25-21-19-17(26-22(21)28)10-4-13(2)20(19)24/h3-11H,1-2H3,(H,25,26,28)/p+1