2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O2S/c1-15(2)20-24-22(25-27(20)17-8-4-3-5-9-17)30-14-19(28)16-12-18(23-13-16)21(29)26-10-6-7-11-26/h3-5,8-9,12-13,15,23H,6-7,10-11,14H2,1-2H3