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

Systemtic Name: methyl 2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H13N5O3S/c1-20-11(19)7-13-10(18)8-21-12-14-15-16-17(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,18)