N-(2,3-dimethylphenyl)-2-(5-pyridin-2-yl-1-pyrrol-1-yl-pyrrol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-(5-pyridin-2-yl-1-pyrrol-1-yl-pyrrol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[5-(2-pyridyl)-1-pyrrol-1-yl-pyrrol-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[5-(2-pyridinyl)-1-(1-pyrrolyl)-2-pyrrolyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(5-pyridin-2-yl-1-pyrrol-1-ylpyrrol-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[5-(2-pyridyl)-1-pyrrol-1-yl-pyrrol-2-yl]thio]acetamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=CC=C(N2N3C=CC=C3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=CC=C(N2N3C=CC=C3)C4=CC=CC=N4)C

InChI

InChI=1S/C23H22N4OS/c1-17-8-7-10-19(18(17)2)25-22(28)16-29-23-12-11-21(20-9-3-4-13-24-20)27(23)26-14-5-6-15-26/h3-15H,16H2,1-2H3,(H,25,28)