ethyl 2-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-acetate CAS Name: 2-phenyl-2-[(1-phenyl-5-tetrazolyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetate Traditional Name: 2-phenyl-2-[(1-phenyltetrazol-5-yl)thio]acetic acid ethyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-2-23-16(22)15(13-9-5-3-6-10-13)24-17-18-19-20-21(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3