methyl 4-methyl-3-(1,2,3-thiadiazol-4-ylmethylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(1,2,3-thiadiazol-4-ylmethylamino)benzoate Openeye Name: methyl 4-methyl-3-(thiadiazol-4-ylmethylamino)benzoate CAS Name: 4-methyl-3-(4-thiadiazolylmethylamino)benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(thiadiazol-4-ylmethylamino)benzoate Traditional Name: 4-methyl-3-(thiadiazol-4-ylmethylamino)benzoic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NCC2=CSN=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NCC2=CSN=N2

InChI

InChI=1S/C12H13N3O2S/c1-8-3-4-9(12(16)17-2)5-11(8)13-6-10-7-18-15-14-10/h3-5,7,13H,6H2,1-2H3