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

Systemtic Name: propyl 4-(1,2,3-thiadiazol-4-ylmethylamino)benzoate Openeye Name: propyl 4-(thiadiazol-4-ylmethylamino)benzoate CAS Name: 4-(4-thiadiazolylmethylamino)benzoic acid propyl ester IUPAC Name: propyl 4-(thiadiazol-4-ylmethylamino)benzoate Traditional Name: 4-(thiadiazol-4-ylmethylamino)benzoic acid propyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NCC2=CSN=N2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NCC2=CSN=N2

InChI

InChI=1S/C13H15N3O2S/c1-2-7-18-13(17)10-3-5-11(6-4-10)14-8-12-9-19-16-15-12/h3-6,9,14H,2,7-8H2,1H3