3-(2,6-dithiophen-2-ylpyran-4-ylidene)-1-methyl-indol-1-ium

Systemtic Name: 3-(2,6-dithiophen-2-ylpyran-4-ylidene)-1-methyl-indol-1-ium Openeye Name: 3-[2,6-bis(2-thienyl)pyran-4-ylidene]-1-methyl-indol-1-ium CAS Name: 3-(2,6-dithiophen-2-yl-4-pyranylidene)-1-methylindol-1-ium IUPAC Name: 3-(2,6-dithiophen-2-ylpyran-4-ylidene)-1-methylindol-1-ium Traditional Name: 3-[2,6-bis(2-thienyl)pyran-4-ylidene]-1-methyl-indol-1-ium Formula: C22H16NOS2+ MolecularWeight: 374.49854

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C2C=C(OC(=C2)C3=CC=CS3)C4=CC=CS4)C5=CC=CC=C51

Isomeric SMILES

C[N+]1=CC(=C2C=C(OC(=C2)C3=CC=CS3)C4=CC=CS4)C5=CC=CC=C51

InChI

InChI=1S/C22H16NOS2/c1-23-14-17(16-6-2-3-7-18(16)23)15-12-19(21-8-4-10-25-21)24-20(13-15)22-9-5-11-26-22/h2-14H,1H3/q+1