4-methyl-2-[(E)-(1-phenyl-2-pyridin-2-ylsulfanyl-4H-quinolin-1-ium-3-ylidene)methyl]-2,3-dihydro-1,3-benzothiazole iodide

Systemtic Name: 4-methyl-2-[(E)-(1-phenyl-2-pyridin-2-ylsulfanyl-4H-quinolin-1-ium-3-ylidene)methyl]-2,3-dihydro-1,3-benzothiazole iodide Openeye Name: 4-methyl-2-[(E)-[1-phenyl-2-(2-pyridylsulfanyl)-4H-quinolin-1-ium-3-ylidene]methyl]-2,3-dihydro-1,3-benzothiazole iodide CAS Name: 4-methyl-2-[(E)-[1-phenyl-2-(2-pyridinylthio)-4H-quinolin-1-ium-3-ylidene]methyl]-2,3-dihydro-1,3-benzothiazole iodide IUPAC Name: 4-methyl-2-[(E)-(1-phenyl-2-pyridin-2-ylsulfanyl-4H-quinolin-1-ium-3-ylidene)methyl]-2,3-dihydro-1,3-benzothiazole iodide Traditional Name: 4-methyl-2-[(E)-[1-phenyl-2-(2-pyridylthio)-4H-quinolin-1-ium-3-ylidene]methyl]-2,3-dihydro-1,3-benzothiazole iodide Formula: C29H24IN3S2 MolecularWeight: 605.55543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(N2)C=C3CC4=CC=CC=C4[N+](=C3SC5=CC=CC=N5)C6=CC=CC=C6.[I-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(N2)/C=C/3\CC4=CC=CC=C4[N+](=C3SC5=CC=CC=N5)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C29H24N3S2.HI/c1-20-10-9-15-25-28(20)31-27(33-25)19-22-18-21-11-5-6-14-24(21)32(23-12-3-2-4-13-23)29(22)34-26-16-7-8-17-30-26;/h2-17,19,27,31H,18H2,1H3;1H/q+1;/p-1/b22-19+;