1-(2,5-dimethyl-1-propyl-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-propyl-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-propyl-pyrrol-3-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC)C3=CC=NC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC)C3=CC=NC=C3)C

InChI

InChI=1S/C20H25N5OS/c1-5-11-25-14(3)12-17(15(25)4)18(26)13-27-20-23-22-19(24(20)6-2)16-7-9-21-10-8-16/h7-10,12H,5-6,11,13H2,1-4H3