1-methyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-thiol

Systemtic Name: 1-methyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-thiol Openeye Name: 1-methyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-thiol CAS Name: 1-methyl-1,2-bis(1-pyrrolyl)-3-pyrrol-1-iumthiol IUPAC Name: 1-methyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-thiol Traditional Name: 1-methyl-1,2-di(pyrrol-1-yl)pyrrol-1-ium-3-thiol Formula: C13H14N3S+ MolecularWeight: 244.33536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC(=C1N2C=CC=C2)S)N3C=CC=C3

Isomeric SMILES

C[N+]1(C=CC(=C1N2C=CC=C2)S)N3C=CC=C3

InChI

InChI=1S/C13H13N3S/c1-16(15-9-4-5-10-15)11-6-12(17)13(16)14-7-2-3-8-14/h2-11H,1H3/p+1