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

Systemtic Name: butyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate Openeye Name: butyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]acetic acid butyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C13H16N4O2S/c1-2-3-9-19-12(18)10-20-13-14-15-16-17(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3