1-(2,5-dimethyl-1-prop-2-enyl-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-prop-2-enyl-pyrrol-3-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CC=C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CC=C)C)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/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/h5,7-10,12H,1,6,11,13H2,2-4H3