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

Systemtic Name: ethyl 2-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-(2H-tetrazol-5-yl)phenyl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2H-tetrazol-5-yl)phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-(2H-tetrazol-5-yl)benzyl]thio]acetic acid ethyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=CC=C(C=C1)C2=NNN=N2

Isomeric SMILES

CCOC(=O)CSCC1=CC=C(C=C1)C2=NNN=N2

InChI

InChI=1S/C12H14N4O2S/c1-2-18-11(17)8-19-7-9-3-5-10(6-4-9)12-13-15-16-14-12/h3-6H,2,7-8H2,1H3,(H,13,14,15,16)