1-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[[1-(4-hydroxyphenyl)tetrazol-5-yl]thio]-3,3-dimethyl-butan-2-one Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=C(C=C2)O

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=C(C=C2)O

InChI

InChI=1S/C13H16N4O2S/c1-13(2,3)11(19)8-20-12-14-15-16-17(12)9-4-6-10(18)7-5-9/h4-7,18H,8H2,1-3H3