diethyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-(1-phenyltetrazol-5-yl)sulfanylpropanedioate CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-phenyltetrazol-5-yl)sulfanylpropanedioate Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]malonic acid diethyl ester Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C14H16N4O4S/c1-3-21-12(19)11(13(20)22-4-2)23-14-15-16-17-18(14)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3