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

Systemtic Name: methyl 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=NN2C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=NN2C3CC3

InChI

InChI=1S/C13H14N4O2S/c1-19-12(18)10-4-2-9(3-5-10)8-20-13-14-15-16-17(13)11-6-7-11/h2-5,11H,6-8H2,1H3