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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-5-11-25-19(16-7-9-21-10-8-16)22-23-20(25)27-13-18(26)17-12-14(3)24(6-2)15(17)4/h5,7-10,12H,1,6,11,13H2,2-4H3