methyl 4-(5-azanyl-1,3,4-thiadiazol-2-yl)benzoate

Systemtic Name: methyl 4-(5-azanyl-1,3,4-thiadiazol-2-yl)benzoate Openeye Name: methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate CAS Name: 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate Traditional Name: 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid methyl ester Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)N

InChI

InChI=1S/C10H9N3O2S/c1-15-9(14)7-4-2-6(3-5-7)8-12-13-10(11)16-8/h2-5H,1H3,(H2,11,13)