2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C21H23FN6OS MolecularWeight: 426.510323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H23FN6OS/c1-15-3-6-19(13-16(15)2)28-21(23-24-25-28)30-14-20(29)27-11-9-26(10-12-27)18-7-4-17(22)5-8-18/h3-8,13H,9-12,14H2,1-2H3