1-[3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanyl-phenyl]ethanone Openeye Name: 1-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-hydroxy-phenyl]ethanone CAS Name: 1-[3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-hydroxyphenyl]ethanone IUPAC Name: 1-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-hydroxyphenyl]ethanone Traditional Name: 1-[3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-hydroxy-phenyl]ethanone Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)O)CSC2=NN=NN2C3CC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)O)CSC2=NN=NN2C3CC3

InChI

InChI=1S/C13H14N4O2S/c1-8(18)9-2-5-12(19)10(6-9)7-20-13-14-15-16-17(13)11-3-4-11/h2,5-6,11,19H,3-4,7H2,1H3