1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[[1-(2-methylphenyl)-5-tetrazolyl]thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[[1-(o-tolyl)tetrazol-5-yl]thio]ethanone Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CS4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CS4)C

InChI

InChI=1S/C21H21N5OS2/c1-14-7-4-5-9-19(14)26-21(22-23-24-26)29-13-20(27)18-11-15(2)25(16(18)3)12-17-8-6-10-28-17/h4-11H,12-13H2,1-3H3