2-[[6-(4-tert-butylphenyl)-1,4-dihydro-1,2,4,5-tetrazin-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-1,4-dihydro-1,2,4,5-tetrazin-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[6-(4-tert-butylphenyl)-1,4-dihydro-1,2,4,5-tetrazin-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[6-(4-tert-butylphenyl)-1,4-dihydro-1,2,4,5-tetrazin-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[6-(4-tert-butylphenyl)-1,4-dihydro-1,2,4,5-tetrazin-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[6-(4-tert-butylphenyl)-1,4-dihydro-1,2,4,5-tetrazin-3-yl]thio]-1-phenyl-ethanone Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-20(2,3)16-11-9-15(10-12-16)18-21-23-19(24-22-18)26-13-17(25)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,22)(H,23,24)