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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC)C3=CC=NC=C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC)C3=CC=NC=C3)C

InChI

InChI=1S/C19H23N5OS/c1-5-23-13(3)11-16(14(23)4)17(25)12-26-19-22-21-18(24(19)6-2)15-7-9-20-10-8-15/h7-11H,5-6,12H2,1-4H3