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

Systemtic Name: 2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2-naphthyl)ethanone CAS Name: 2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-naphthalen-2-ylethanone Traditional Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]-1-(2-naphthyl)ethanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H18N4OS/c1-14-7-10-19(15(2)11-14)25-21(22-23-24-25)27-13-20(26)18-9-8-16-5-3-4-6-17(16)12-18/h3-12H,13H2,1-2H3