imidazol-1-yl 2-(4-aminophenyl)sulfanylpropanoate

Systemtic Name: imidazol-1-yl 2-(4-aminophenyl)sulfanylpropanoate Openeye Name: imidazol-1-yl 2-(4-aminophenyl)sulfanylpropanoate CAS Name: 2-[(4-aminophenyl)thio]propanoic acid 1-imidazolyl ester IUPAC Name: imidazol-1-yl 2-(4-aminophenyl)sulfanylpropanoate Traditional Name: 2-[(4-aminophenyl)thio]propionic acid imidazol-1-yl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ON1C=CN=C1)SC2=CC=C(C=C2)N

Isomeric SMILES

CC(C(=O)ON1C=CN=C1)SC2=CC=C(C=C2)N

InChI

InChI=1S/C12H13N3O2S/c1-9(12(16)17-15-7-6-14-8-15)18-11-4-2-10(13)3-5-11/h2-9H,13H2,1H3