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

Systemtic Name: methyl 4-bromanyl-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-bromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-bromo-2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-bromo-2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C13H13BrN4O2S MolecularWeight: 369.23692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O2S/c1-20-12(19)11-5-2-9(14)6-8(11)7-21-13-15-16-17-18(13)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3