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

Systemtic Name: 1-[4-ethoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]phenyl]ethanone Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=NN2C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=NN2C

InChI

InChI=1S/C13H16N4O2S/c1-4-19-12-6-5-10(9(2)18)7-11(12)8-20-13-14-15-16-17(13)3/h5-7H,4,8H2,1-3H3