N-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzamide

Systemtic Name: N-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzamide Openeye Name: N-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2,5-dimethyl-pyrrol-1-yl]benzamide CAS Name: N-[3-[2-(3-imidazo[1,5-a]pyridinylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzamide IUPAC Name: N-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-2,5-dimethylpyrrol-1-yl]benzamide Traditional Name: N-[3-[2-(imidazo[1,5-a]pyridin-3-ylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC=C4N3C=CC=C4

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC=C4N3C=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-15-12-19(16(2)26(15)24-21(28)17-8-4-3-5-9-17)20(27)14-29-22-23-13-18-10-6-7-11-25(18)22/h3-13H,14H2,1-2H3,(H,24,28)