N-[3-[1,2-di(pyrrol-1-yl)-5-sulfanyl-pyrrol-1-ium-1-yl]phenyl]ethanamide

Systemtic Name: N-[3-[1,2-di(pyrrol-1-yl)-5-sulfanyl-pyrrol-1-ium-1-yl]phenyl]ethanamide Openeye Name: N-[3-[1,2-di(pyrrol-1-yl)-5-sulfanyl-pyrrol-1-ium-1-yl]phenyl]acetamide CAS Name: N-[3-[2-mercapto-1,5-bis(1-pyrrolyl)-1-pyrrol-1-iumyl]phenyl]acetamide IUPAC Name: N-[3-[1,2-di(pyrrol-1-yl)-5-sulfanylpyrrol-1-ium-1-yl]phenyl]acetamide Traditional Name: N-[3-[2-mercapto-1,5-di(pyrrol-1-yl)pyrrol-1-ium-1-yl]phenyl]acetamide Formula: C20H19N4OS+ MolecularWeight: 363.45606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)[N+]2(C(=CC=C2S)N3C=CC=C3)N4C=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)[N+]2(C(=CC=C2S)N3C=CC=C3)N4C=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-16(25)21-17-7-6-8-18(15-17)24(23-13-4-5-14-23)19(9-10-20(24)26)22-11-2-3-12-22/h2-15H,1H3,(H-,21,25,26)/p+1