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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[(1-methyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[(1-methyltetrazol-5-yl)thio]propan-1-one Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4OS/c1-10(21-14-16-17-18-19(14)5)13(20)11-6-8-12(9-7-11)15(2,3)4/h6-10H,1-5H3