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

Systemtic Name: 4-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butan-2-one Openeye Name: 4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylbutan-2-one CAS Name: 4-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]-2-butanone IUPAC Name: 4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylbutan-2-one Traditional Name: 4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]thio]butan-2-one Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=NN1C2=CC=C(C=C2)O

Isomeric SMILES

CC(=O)CCSC1=NN=NN1C2=CC=C(C=C2)O

InChI

InChI=1S/C11H12N4O2S/c1-8(16)6-7-18-11-12-13-14-15(11)9-2-4-10(17)5-3-9/h2-5,17H,6-7H2,1H3