3-phenylpropyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: 3-phenylpropyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid 3-phenylpropyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C13H15N3O2S2/c14-12-15-16-13(20-12)19-9-11(17)18-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,14,15)