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

Systemtic Name: 1-[4-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]phenyl]ethanone Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=NN2C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=NN2C

InChI

InChI=1S/C12H14N4O2S/c1-8(17)9-4-5-11(18-3)10(6-9)7-19-12-13-14-15-16(12)2/h4-6H,7H2,1-3H3