1-(4-ethoxyphenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol

Systemtic Name: 1-(4-ethoxyphenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Openeye Name: 1-(4-ethoxyphenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol CAS Name: 1-(4-ethoxyphenyl)-1,5-bis(1-pyrrolyl)-2-pyrrol-1-iumthiol IUPAC Name: 1-(4-ethoxyphenyl)-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Traditional Name: 1-p-phenetyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Formula: C20H20N3OS+ MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2(C(=CC=C2S)N3C=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2(C(=CC=C2S)N3C=CC=C3)N4C=CC=C4

InChI

InChI=1S/C20H19N3OS/c1-2-24-18-9-7-17(8-10-18)23(22-15-5-6-16-22)19(11-12-20(23)25)21-13-3-4-14-21/h3-16H,2H2,1H3/p+1