1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone Traditional Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone Formula: C24H27N5O3S MolecularWeight: 465.56788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NN=C(N3CCOC)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NN=C(N3CCOC)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3S/c1-16-12-20(18(3)29(16)23-13-17(2)32-27-23)21(30)15-33-24-26-25-22(28(24)10-11-31-4)14-19-8-6-5-7-9-19/h5-9,12-13H,10-11,14-15H2,1-4H3