methyl 4-[5-[(3-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-[(3-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoate CAS Name: 4-[5-[(3-bromophenyl)methylthio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 4-[5-[(3-bromobenzyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H13BrN4O2S/c1-23-15(22)12-5-7-14(8-6-12)21-16(18-19-20-21)24-10-11-3-2-4-13(17)9-11/h2-9H,10H2,1H3