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

Systemtic Name: 1-(4-bromophenyl)-2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(4-bromophenyl)-2-[(1-tert-butyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(4-bromophenyl)-2-[(1-tert-butyltetrazol-5-yl)thio]propan-1-one Formula: C14H17BrN4OS MolecularWeight: 369.27998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN4OS/c1-9(12(20)10-5-7-11(15)8-6-10)21-13-16-17-18-19(13)14(2,3)4/h5-9H,1-4H3