1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=CN3C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=CN3C4=CC=CC=C4OC

InChI

InChI=1S/C22H26N4O3S/c1-15-11-18(16(2)25(15)12-17-7-6-10-29-17)20(27)13-30-22-24-23-14-26(22)19-8-4-5-9-21(19)28-3/h4-5,8-9,11,14,17H,6-7,10,12-13H2,1-3H3