2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-1-(2,5-dimethylphenyl)-1-propanone IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-1-(2,5-dimethylphenyl)propan-1-one Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NN=NN2C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NN=NN2C(C)(C)C

InChI

InChI=1S/C16H22N4OS/c1-10-7-8-11(2)13(9-10)14(21)12(3)22-15-17-18-19-20(15)16(4,5)6/h7-9,12H,1-6H3