1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CS3)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CS3)C)C4=CC=NC=C4

InChI

InChI=1S/C23H25N5OS2/c1-4-27-22(18-7-10-24-11-8-18)25-26-23(27)31-15-21(29)20-14-16(2)28(17(20)3)12-9-19-6-5-13-30-19/h5-8,10-11,13-14H,4,9,12,15H2,1-3H3