2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-1-(4-mesylphenyl)ethanone Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H18N4O3S2/c1-14(2,3)18-13(15-16-17-18)22-9-12(19)10-5-7-11(8-6-10)23(4,20)21/h5-8H,9H2,1-4H3