1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C4N3C=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-16-14-19(17(2)25(16)13-11-18-8-4-3-5-9-18)20(27)15-28-22-24-23-21-10-6-7-12-26(21)22/h3-10,12,14H,11,13,15H2,1-2H3