methyl 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate hydrobromide

Systemtic Name: methyl 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate hydrobromide Openeye Name: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate hydrobromide CAS Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate hydrobromide Traditional Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester hydrobromide Formula: C11H12BrN3O2S2 MolecularWeight: 362.26588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N.Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N.Br

InChI

InChI=1S/C11H11N3O2S2.BrH/c1-16-9(15)8-4-2-7(3-5-8)6-17-11-14-13-10(12)18-11;/h2-5H,6H2,1H3,(H2,12,13);1H