N-(3-chloranyl-2-methyl-phenyl)-2-(5-pyridin-2-yl-1-pyrrol-1-yl-pyrrol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(5-pyridin-2-yl-1-pyrrol-1-yl-pyrrol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[5-(2-pyridyl)-1-pyrrol-1-yl-pyrrol-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[5-(2-pyridinyl)-1-(1-pyrrolyl)-2-pyrrolyl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(5-pyridin-2-yl-1-pyrrol-1-ylpyrrol-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[5-(2-pyridyl)-1-pyrrol-1-yl-pyrrol-2-yl]thio]acetamide Formula: C22H19ClN4OS MolecularWeight: 422.93046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=CC=C(N2N3C=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=CC=C(N2N3C=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C22H19ClN4OS/c1-16-17(23)7-6-9-18(16)25-21(28)15-29-22-11-10-20(19-8-2-3-12-24-19)27(22)26-13-4-5-14-26/h2-14H,15H2,1H3,(H,25,28)