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

Systemtic Name: 1-[4-methoxy-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(1-phenyl-5-tetrazolyl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(1-phenyltetrazol-5-yl)thio]methyl]phenyl]ethanone Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-12(22)13-8-9-16(23-2)14(10-13)11-24-17-18-19-20-21(17)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3