tert-butyl 2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetic acid tert-butyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S2/c1-14(2,3)19-11(18)9-20-13-17-16-12(21-13)15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,16)