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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C23H23N5OS/c1-16-14-20(17(2)28(16)13-10-18-6-4-3-5-7-18)21(29)15-30-23-25-22(26-27-23)19-8-11-24-12-9-19/h3-9,11-12,14H,10,13,15H2,1-2H3,(H,25,26,27)