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

Systemtic Name: 1-methyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Openeye Name: 1-methyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol CAS Name: 1-methyl-1,5-bis(1-pyrrolyl)-2-pyrrol-1-iumthiol IUPAC Name: 1-methyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Traditional Name: 1-methyl-1,5-di(pyrrol-1-yl)pyrrol-1-ium-2-thiol Formula: C13H14N3S+ MolecularWeight: 244.33536

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=CC=C1S)N2C=CC=C2)N3C=CC=C3

Isomeric SMILES

C[N+]1(C(=CC=C1S)N2C=CC=C2)N3C=CC=C3

InChI

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