(3-oxidanylidenecyclohexen-1-yl) 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC=CC=C2C(=O)OC3=CC(=O)CCC3

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC=CC=C2C(=O)OC3=CC(=O)CCC3

InChI

InChI=1S/C16H16N4O3S/c1-20-16(17-18-19-20)24-10-11-5-2-3-8-14(11)15(22)23-13-7-4-6-12(21)9-13/h2-3,5,8-9H,4,6-7,10H2,1H3