1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(O3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(O3)C4=CN=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-16-13-20(17(2)27(16)12-10-18-7-4-3-5-8-18)21(28)15-30-23-26-25-22(29-23)19-9-6-11-24-14-19/h3-9,11,13-14H,10,12,15H2,1-2H3