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

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C22H34N4OS/c1-15(2)11-12-26-16(3)13-19(17(26)4)20(27)14-28-22-23-21(24-25-22)10-9-18-7-5-6-8-18/h13,15,18H,5-12,14H2,1-4H3,(H,23,24,25)