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

Systemtic Name: 1-phenyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Openeye Name: 1-phenyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol CAS Name: 1-phenyl-1,5-bis(1-pyrrolyl)-2-pyrrol-1-iumthiol IUPAC Name: 1-phenyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Traditional Name: 1-phenyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Formula: C18H16N3S+ MolecularWeight: 306.40474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3S/c22-18-11-10-17(19-12-4-5-13-19)21(18,20-14-6-7-15-20)16-8-2-1-3-9-16/h1-15H/p+1