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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-chloranyl-2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-chloro-2-[(1-ethyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-chloro-2-[[(1-ethyl-5-tetrazolyl)thio]methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-chloro-2-[(1-ethyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-chloro-2-[[(1-ethyltetrazol-5-yl)thio]methyl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SCC2=C(C=CC(=C2)Cl)C(=O)OC3=CC(=O)CCC3

Isomeric SMILES

CCN1C(=NN=N1)SCC2=C(C=CC(=C2)Cl)C(=O)OC3=CC(=O)CCC3

InChI

InChI=1S/C17H17ClN4O3S/c1-2-22-17(19-20-21-22)26-10-11-8-12(18)6-7-15(11)16(24)25-14-5-3-4-13(23)9-14/h6-9H,2-5,10H2,1H3