1-(2,6-dimethyl-4-oxidanyl-phenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(2,6-dimethyl-4-oxidanyl-phenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-hydroxy-2,6-dimethyl-phenyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(4-hydroxy-2,6-dimethylphenyl)-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(4-hydroxy-2,6-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(4-hydroxy-2,6-dimethyl-phenyl)-3-[(1-phenyltetrazol-5-yl)thio]propan-1-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)CCSC2=NN=NN2C3=CC=CC=C3)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)CCSC2=NN=NN2C3=CC=CC=C3)C)O

InChI

InChI=1S/C18H18N4O2S/c1-12-10-15(23)11-13(2)17(12)16(24)8-9-25-18-19-20-21-22(18)14-6-4-3-5-7-14/h3-7,10-11,23H,8-9H2,1-2H3