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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-chloranyl-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-chloro-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-chloro-2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-chloro-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-chloro-2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)Cl)CSC3=NN=NN3C4CC4

Isomeric SMILES

C1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)Cl)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C18H17ClN4O3S/c19-12-4-7-16(17(25)26-15-3-1-2-14(24)9-15)11(8-12)10-27-18-20-21-22-23(18)13-5-6-13/h4,7-9,13H,1-3,5-6,10H2