2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]-1-phenylethanone IUPAC Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]-1-phenyl-ethanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4OS/c1-12-7-6-8-13(2)16(12)21-17(18-19-20-21)23-11-15(22)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3